UO100 .U556 V25-18;1981 C.1 NBS-PUB-C 19 ^ ^ NBS MONOGRAPH 2b-SECTI0N 1

0

Standard X-ray Diffraction

Powder Patterns

100

.U555

NO. 18

Sect. 18

1981
NATIONAL BUREAU OF STANDARDS

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. I ^ JJATIONAL BTTKE#

|\J O^OnOC^Oup^i.—. Of STANDARU8

Standard X-ray Diffraction

Powder Patterns

Section 18 — Data for 58 Substances

Marlene C. Morris, Howard F. McMurdie, Eloise H. Evans,

Boris Paretzkin, Harry S. Parker, and Nicolas C. Panagiotopoulos

International Centre for

Diffraction Data

Camden R. Hubbard

National Measurement Laboratory

National Bureau of Standards

Washington, DC 20234

JJATIONAL BTTKEAU

STANDAR

UBBABT

OCT 2 z 1981

Qt (oo

jCPDb.

International Centre for Diffraction Data

U.S. DEPARTMENT OF COMMERCE, Malcolm Baldrige, Secretary

NATIONAL BUREAU OF STANDARDS, Ernest Ambler, Director

Issued October 1981
Library of Congress Catalog Card Number: 53-61386

National Bureau of Standards Monograph 25

Section 18—Data for 58 Substances

Nat. Bur. Stand. (U.S.), Monogr. 25—Sec. 18, 110 pages (Oct. 1981)

CODEN: NBSMA6
CONTENTS

Page

Introduction 1

Experimental patterns:

Aliuninum iron, AlFe 5 Anmoniiun cerium nitrate,

(NH4)2Ce(N03)6 6

Ammonium tin fluoride, NH4SnF3 8

Arsenic bromide, AsBrs 9 Barium aluminum titanium oxide,

Bai ,23^12 .46^15 .54O16 10

Barium manganese oxide, BaMn04 11

Barium neodymium titanium oxide,

BaNdaTigOio 12

Benzidine hydrochloride,

Ci2Hi2N2-2HCl 14

Beryllium nitride, Be3N2 15

Bismuth selenide (paraguanajuatite)

,

Bi2Se3 16

Calcium borate, CaB204 17 Calcium cyanamide, CaCN2 19

Calcium iron oxide, CaFe204 20

Calcium sulfate hydrate (bassanite),

CaS04-0.5H20 22

Carbamazepine, p-CisH^gNaO 24

Cerium niobium oxide

CeNb04 25

Cerium tantalum oxide, CeTa04 27

Cesium magnesium titanium oxide,

CSi.45Mgo.724Ti7.270i6 29

Chromium boride, Cr5B3 30

Cobalt fluoride, CoFg 31

Cobalt phosphide, CogP 32

Copper chloride hydrate (eriochalcite)

,

CuCl2-2H20 33

Iodoform, CHI3 34

Iron boride, FeB 35

Iron fluoride, FeFs 36

Iron oxide (hematite) , a-Fe203 37

Iron yttrium oxide, Fe5Y30i2 38

Lithium iodide hydrate, Lil -31120 .... 40

Magnesium phosphate, a-Mg2P207 41

Manganese, p-Mn 43

Molybdenum oxide, M0O2 44

Neodymium tantalum oxide , NdTa04 .... 46

Neodymium titanium oxide, Nd2Ti05 .... 48

Neodymium titanium oxide, Nd2Ti207 ... 50

Neodymium titanium oxide, Nd4Ti9024 ... 52

Page

Nickel titanium oxide, NiTiOs 54

Potassium fluoride hydrate, KF-2H20 ... 55

Potassium iron cyanide, K4Fe(CN)6 .... 56

Potassium vanadium oxide, KVO3 57

Silicon nitride, p-Si3N4 59

Silicon oxide (quartz, low), a-Si02 ... 61

Sodium aluminum oxide, p-NaA102 62

Sodium borate, NaB02 63

Sodium niobium oxide (lueshite),

NaNbOs 64

Sodium nitrosyl iron cyanide hydrate,

Na2(N0)Fe(CN)5-2H20 66

Sodium vanadium oxide, Of-NaVOs 67

Sodium vanadium oxide, p-NaVOs 68

Strontium iron oxide, SrFei20i9 69

Thorium carbide, ThC 71 Thorium nitrate hydrate,

Th(N03)4-5H20 72

Titanium carbide, TiC 73

Tungsten oxide, WO2 74

Uranium nitride , UN 75 Uranyl acetate hydrate, C4H60eU-2H20 . . 76

Yttrium, Y 77 Zinc acetate hydrate, C4H604Zn-2H20 ... 78

Zirconium fluoride, ZrF4 79

Zirconium oxide chloride hydrate,

• Zr0Cl2'8H20 81

Cumulative indices

(Circular 539, Volumes 1-10 and

Monograph 25, Sections 1-18 inclusive)

1. Inorganic 82

2. Organic formula 99

3. Organic name 101

4. Mineral 103

iii
STANDARD X-RAY DIFFRACTION POWDER PATTERNS

Previous work has been published as a book entitled Powder Diffraction Data from the Joint Committee

on Powder Diffraction Standards Associateship at the National Bureau of Standards (1976) (JCPDS —International Centre for Diffraction Data, 1601 Park Lane, Swarthmore, PA 19081). The volume is sold with an accompnaying search manual, and contains 949 card images of patterns of experimental data, published originally as Circular 539 (vols. 1-10) and Monograph 25, Sections 1-12, and most of Section 13.

Individual copies of the Circular and Monograph are still available and may be obtained from the

National Technical Information Service, 5285 Port Royal Road, Springfield, VA 22161. If a publication

listed below is identified with a number, it must be used in ordering. All are available in hardcopy

or microfiche; the price is not fixed and will be furnished on request.

NBS Publication Number NBS Publication Number

Circular 539, Volume 1 PB 178 902

Volume 2 PB 178 903

Volume 3 PB 178 904

Volume 4 PB 178 905

Volume 5 PB 178 906

Volume 6 PB 178 907

Volume 7 PB 178 908

Volume 8 PB 178 909

Volume 9 PB 178 910

Volume 10 PB 178 911

Monograph 25, Section 1 PB 178 429

Section 2 PB 178 430

Section 3 PB 178 431

Section 4 Section 5 Section 6 Section 7 Section 8 PB 194 872

Section 9 COM 72-50002

Section 10 COM 72-51079

Section 11 COM 74-50183

Section 12 COM 75-50162

Section 13 PB 254 073

Section 14 PB 272 372

Section 15 PB 287 182

Also, until the present supply is exhausted, the following issues are for sale from the Superintendent of Documents, U.S. Government Printing Office, Washington, DC 20402. Order by given catalog number,

and add 25% to the price for other than U.S. mailing.

Catalog Number Price

Section 12 SN 003-003-01376-5 $1.50

Section 13 SN 003-003-01629-2 1.80

Section 14 SN 003-003-01842-2 2.75

Section 15 SN 003-003-01986-1 4.00

Section 16.... SN 003-003-02128-8 5.00

Section 17 No Catalog Number Issued 4.50

ERRATA

Monograph 25

Section 9, pp. 73,74: Much of the data is incorrect. See a corrected pattern in this issue.

Section 15,

Section 17,

P-PPPPP- pp.

136

41

62

64

70

70

The correct year should be 1970 for the reference to Fletcher et al.

The color should be light grayish yellowish brown.

Under "Structure," the date should be 1967 for reference to Katz and Megaw.

Under "References," after J. Appl. Crystallogr . , add 2, 89. Under "Synonym," at line 1, delete hydrate.

Under "Lattice constants," the value for c should be 5.567.

103,104: The text is out of order. Page 104 should precede page 103.

iv
STANDARD X-RAY DIFFRACTION POWDER PATTERNS

Section 18 Data for 58 Substances

by

Marlene C. Morris, Howard F. McMurdie, Eloise H. Evans,

Boris Paretzkin, Harry S. Parker, and Nicolas C. Panagiotopoulos

JCPDS—International Centre for Diffraction Data

and

Camden R. Hubbard

National Bureau of Standards

Standard x-ray powder diffraction patterns are presented for 58 substances.

These experimental patterns, useful for identification, were obtained by diffractometer methods. The lattice constants were refined by least-squares methods, and

reflections were assigned Miller indices consistent with space group extinctions.

Relative intensities, calculated densities, literature references, and other relevant data are included.

Key words: Crystal structure; densities; lattice constants; powder patterns;

reference intensities; standard; x-ray diffraction.

INTRODUCTION

The Powder Diffraction File (PDF) is a con- tinuing compilation of diffraction patterns gathered

from many sources. Produced and published by the

JCPDS—International Centre for Diffraction Data,^

the PDF is used for identification of crystalline

materials by matching d-spacings and diffraction

intensity measurements. Under the partial sponsorship of the JCPDS, the program at the National

Bureau of Standards contributes new or improved

data to the PDF. Our work also aids in the development of diffraction techniques. This report

presents information for 58 experimental patterns,

and is the twenty-eighth of the series of Standard

X-ray Diffraction Powder Patterns .

EXPERIMENTAL POWDER PATTERNS

Names . The nonmenclature follows the current

practice of the PDF.

CAS registry number . The Chemical Abstracts

Service Registry Number is included, when available, to help identify the sample. This number

forms the basis for computer-aided searching of

Chemical Abstracts.

Sample . The samples used to make NBS patterns were obtained from a variety of sources or were prepared in small quantities in our laboratory.

^ JCPDS- -International Centre for Diffraction Data,

1601 Park Lane, Swarthmore, PA 19081. This Pennsylvania non-profit corporation functions in co- operation with the American Ceramic Society, the

American Crystallographic Association, the American Society for Testing and Materials, The Clay

Minerals Society, The Institute of Physics, the

Mineralogical Association of Canada, the Mineralogical Society of America, The Mineralogical

Society of Great Britain and Ireland, the National

Association of Corrosion Engineers, and the Societe

Francaise de Mineralogie et de Cristallographie

.

^See previous page for other published volumes.

Appropriate annealing or recrystallization of the

samples improved the quality of many of the patterns. A check of phase purity was provided by

indexing the x-ray pattern and by optical examination.

Optical data . When reported, optical mea- surements were made by grain immersion methods,

in white light, using oils standardized in sodium

light, in the refractive index range 1.49 to 2.1

[Hartshorne and Stuart, 1970].

The names of the sample colors are selected

from the ISCC-NBS Centroid Color Charts [1965].

Interplanar spacings . All spacing determinations were made using an internal standard mixed

with the sample, packed in a shallow holder.

Choice of the standard was determined by the need

for low angle and unobstructed reflections. The

amount of standard was estimated so that the intensity of its strongest peak would be about equal

to the intensity of the strongest peak of the sample. The internal standards used were of high

purity (99.99%). The lattice constants used for

them at 25 °C are given in Table 1; the 26 angles were computed using cell dimensions uncorrected

for index of refraction.

The internal standard Si powder is available

as Standard Reference Material 640 [1974]. The

lattice constant for the Si was refined from multiple powder data measurements made with tungsten as an internal standard [Swanson et al.,

1966] . Single crystal cell parameter data were

also collected. The lattice parameters from the

two methods agreed within three parts in 10^

[Hubbard et al., 1975]. D-spacing results using

SRM 640 will be in agreement with patterns re- corded in this series of Monographs since 1966.

All patterns were recorded at 25 ± 1 °C on a diffractometer equipped with a focusing graphite or

1
lithium fluoride crystal monochromator located

between the sample and the scintillation counter.

Pulse height discrimination was used as well. All

data were collected using copper radiation: A.(CuKai,

peak) = 1.540598A [Deslattes and Renins, 1973].

Table 1

Calculated 26 Angles, CuKa \ = 1.540598A

a=3.+ .

W o

. 16524A

.00004

a=4.+

,

Ae"5 o .08651A

.00002

a=5.+ .

Si 0 .43088A

.00004

110 40,.262

111 38,,112 28,.443

200 58.,251 44.,295

211 73.,184

220 86.,996 64.,437 47..303

310 100.,632

311 77.,390 56.,123

222 114.,923 81.,533

321 131.,171

400 153.,535 97.,875 69.,131

331 110.,499 76.,377

420 114.,914

422 134.,871 88.,032

511/333 156.,737 94.,954

440 106.,710

531 114.,094

620 127.,547

533 136.,897

444 158.,638

The readings of 26 were taken at positions

about 20% of the way down from the top, and in

the center of the peak width. This avoided errors associated with aberrations at the very top of the

peaks. The peaks were occasionally read to assist in establishing a Ka;^ peak position, but

Ko(2 peaks are not reported.

At low angles, Ka^ and Ka2 peaks were unre- solved for both the sample and the internal standard. The internal standard corrections were established from the theoretical values for Kmj^

and were applied to the unresolved low angle peaks,

as well as to the resolved Ka^ peaks in the higher

angle regions. In general, if the internal standard correction varied along the length of the

pattern, linear interpolations were used.

Structure, lattice constants . The space

group symbols are given the short Hermann-Mauguin

notation. Also given are the space group numbers

listed in the International Tables for X-ray

Crystallography , Vol. I [1965].

Orthorhombic cell dimensions are arranged ac- cording to the Dana convention b>a>c [Palache et al., 1944]. Monoclinic and triclinic lattice con- stants are transformed if necessary in order to follow the convention of Crystal Data [1973].

The lattice constant ratios, a/b, c/b, and c/a,

also follow the conventions used for the determinative ratios in Crystal Data [1973].

In most cases, preliminary lattice constants were available in the literature, and were used

for the initial indexing and refinement. In cases where such data were not available, other methods

were tried. If suitable single crystals were

available, the lattice constants were obtained by

use of a four-circle diffractometer . Axial ratios

and densities from Groth [1908] were sometimes

useful. Cell constants were also found in some instances by use of the Visser computer program

[1969] .

A least squares program [Evans et al., 1963]

assigned hk£'s and refined the lattice constants.

In indexing cubic patterns, for a given reflection

multiple hkJK's were not utilized in the refinement

or reported. Instead, the single appropriate index having the largest h was used. Cell refinement was based only upon 20^^^ values which could

be indexed without ambiguity. The program minimized the value 2(9^^3"® i The estimated

standard deviations (e.s?§.'^s) of the reciprocal

cell parameters were determined from the inverse

matrix of the normal equations. The program calculated the e.s.d.'s of the direct cell constants

by the method of propagation of errors. Since

1973, the e.s.d.'s derived by the computer program

have been increased by 50% in order to reflect more truly the uncertainty in the lattice con- stants. A similar increase should also be applied

to all lattice constants published in this series

prior to 1973. The e.s.d.'s in the least significant figures are given in parentheses following

the lattice constants.

For each d-value, the number of significant

figures was derived from the average error in

1 26 - 26

I and the equation Ad/d = -(cote)A6.

Witfi'^ihese conditions , the rounded value of d agrees with its appropriate 26 within the average error in 26. The value of Ae varies with the sum- metry and crystallinity of each sample.

Densities . These were calculated from the

specified lattice constants, the Avogadro number

6.0220943 x 10^3 [Deslattes et al., 1974] and

1977 atomic weights published by the International

Union of Pure and Applied Chemistry [1979].

Figure of merit . Several figures of merit

ratings are available for assessing indexed powder

data. M20 [de Wolff, 1968] is a criterion for the

reliability of the unit cell and indexing. A value of M20 > 10 will guarantee the essential

correctness of the indexing provided_there are not more than 2 spurious lines ''X20 2) [de Wolff,

1968]. In general, patterns reported in this

publication had M20 > 20 and X = 0. M20 is

reported if a cell was derived only through com- puter indexing from powder data, without further

confirmation.

The accuracy and completeness of measured interplanar spacings is conveniently reported as Fj^

[Smith and Snyder, 1979]. The format used in this

publication is ¥^ - overall value (|A29|, N g),

where N, the number of observed reflections ^was

chosen as 30, or the maximum number of lines of

2
the pattern if the entire pattern had fewer than

30 lines. The "overall value" is the figure of

meritj Y^, as defined by Smith and Snyder [1979],

and lA2e| is the average absolute magnitude of

discrepancy between observed and calculated 20

values for each reported hkS,. N-^gg is the number

of diffraction lines allowed in the space group,

up to the N*^^ observed and indexed line. Copositional lines such as the cubic 221 and 300 are counted as one possible line.

Intensity measurements . The intensities of

the diffraction lines were measured as peak heights

above background and were expressed in percentage

of the strongest line. It has been found that

samples which give satisfactory intensity patterns

usually have an average particle size smaller than

10 pm, as recommended by Alexander et al. [1948]. In order to avoid the orientation effects which

occur when powdered samples are packed or pressed,

a sample holder was made that had in its top face

a rectangular cavity which extended to one end of

the holder. To prepare the sample, a glass slide

was clamped over the top face to form a temporary

cavity wall (see Figure 1), and the powdered sam- ple was allowed to drift into the end opening

while the holder was held in a vertical position.

With the sample holder returned to a horizontal

position, the glass slide was carefully removed

so that the sample could be exposed to the x-ray

beam (see Figure 2). As a general practice, approximately 50 volume percent of finely ground

silica-gel was added as a diluent. Occasionally,

a rotating saaiple holder was used.

As a check on reproducibility, each sample

was mounted at least 3 times. The intensity values were determined for each of the mountings. The

reported Ii'slvalue for each observed spacing is

the average of 3 or more observations and is

rounded to the nearest integer. Theta-compensating

(variable divergence) slits were sometimes used to gather the intensity data. In that case, the

average I(comp) for each spacing was converted to an equivalent fixed slit value, using the approximate equation:

Kfi^ed) = ii?^

sm 0

The estimated standard deviation, a, in the

relative intensity values was calculated from the

values of the, five strongest lines, excluding the

line with l'^^ =100.

1 n-1

and

n

Z

k=l

rel 2 (I.''^^k)-<I>.)

m

I

i=l

21^

where

m is the number of strong lines

(usually 5) , and

n is the number of independent

observations i, per line.

Figure 1.

Figure 2.

Where conversion of intensities for effects of

theta-compensating slits was required, each a. multiplied by the conversion factor

f =

I (comp)

I (fixed)

Reference intensity ratio, I/I corundum

The reference intensity ratio, I/I , has been defined as the direct ratio of the intensity of the

strongest reflection of a sample, to the intensity of the 113 (hexagonal) reflection of corundum

(a-AlzOg) [Visser and de Wolff, 1964]. In this

publication the ratios I/I are tabulated for copper Ka^ radiation, for a 1:1 mixture by weight of

the sample and corundum,

for very common phases.

I/I^ was determined only

A procedure has been adopted, to achieve

greater statistical accuracy [Hubbard and Smith,

1977] . For any weight fractions of sample and

corundum, X and X (X = 1-X ), the intensities ' s c s c

'

3
for reflection h of the sample and k of corundum

were measured for several combinations of h and

k usually within the same region of 26, to provide indications of possible preferred orientation, extinction, or other systematic errors. The

reference intensity ratio is then given by

1^(113)

I^^^(k) 1(h)

I'^^^h) I^(k)

where (h ) indicates specifically which reflection was chosen for tabulation purposes. For each

of our patterns, the reflection (h ) will be the one with I = 100 since only copper radiation was

used. Typically, at least 3 sets of reflections

and 2 mountings of the mixture were used to obtain

6 or more values for the reference intensity ratio,

I/l . These values yielded, the tabulated average <1/I >. From these data, the standard deviation, a, was obtained from

n(n-l)

where n was the number of measurements of the

Teference intensity ratio. The standard deviation

in the least significant figures is given in parentheses .

Format of tables . The printing of the data

has been computerized. Superimposed reflections

are treated in one of two ways. If a d-spacing

has only two possible indices, an M is added to the d-spacing which is repeated on the next line,

but with the second index. However, if there are more than two possible indices, a plus sign is

used in like manner. In both cases, the composite

intensity is printed only once and aligned with

the first reflection. The symbol "IL" in the intensity column is used to indicate "less than 1".

IMITS

o o In this publication the Angstrom unit (lA =

100 pm) was selected for presentation of the dspacings and lattice parameters. This maintained

consistency with (a) the earlier publications of

Standard X-ray Diffraction Powder Patterns (Circular 539 and Monograph 25), (b) the publications

of the International Union of Crystallography, and

(c) the continuing publication of cards and search

manuals of the PDF (now consisting of over 35,000

entries). The PDF search manuals are based on the

d-spacings in A of the 3 strongest lines. Consistent with the choice of the X unit for length, the

volume of the unit cell is expressed in A^ (lA^ =

1 X 10~^° m^). Densities are reported in g/cm^

(1 gm/cm^ = 10^ kg/m^).

ACKNOWLEDGMENTS

We would like to thank Carolyn Wingo of the

JCPDS Associateship for her assistance, particularly for keyboarding the data and helping with

the proofreading of this manuscript. Appreciation

is also expressed to the Text Editing Facility of

the National Measurement Laboratory of NBS for

typing the manuscript.

REFERENCES

Alexander, L., Klug, H. P., and Kummer, E. (1948).

J. Appl. Phys., 19, No. 8, 742.

Crystal Data (1973). (3rd Ed. Published jointly

by the U.S. Department of Commerce, National

Bureau of Standards, Washington, D.C. 20234,

and the Joint Committee on Powder Diffraction

Standards, 1601 Park Lane, Swarthmore, PA

19081).

Deslattes, R. D. and Henins, A. (1973). Phys. Rev. Lett. 31, 972.

Deslattes, R. D. , Henins, A., Bowman, H. A.,

Schoonover, R. M. , Carroll, C. L., Barnes,

I. L., Machlan, L. A., Moore, L. J., and

Shields, W. R. (1974). Phys. Rev. Lett. 33,

463.

Evans, H. T. , Jr., Appleman, and Handwerker, D. S. (1963). Report #PB216188, U.S. Dept. of Commerce, National Technical Information Center,

5285 Port Royal Rd., Springfield, VA 22151,

$3.50.

Groth, P. (1908). Chemische Kristallographie II (Engelmann, Leipzig, Germany).

Hartshorne, N. H. and Stuart, A. (1970). Crystals

and the Polarizing Microscope (Edward Arnold

and Co., London, 4th Ed.)

Hubbard, C. R. and Smith, D. K. (1977). Advances

in X-ray Analysis , (Plenum Publishing Corporation, 227 West 17th St., New York, NY 10011),

20, p. 27.

Hubbard, C. R. , Swanson, H. E., and Mauer, F. A. (1975). J. Appl. Crystallogr. 8, 45.

International Tables for X-ray Crystallography , I (1965). (The Kynoch Press, Birmingham,

Eng.).

International Union of Pure and Applied Chemistry

(1979). Pure Appl. Chem. 51, No. 2, 407.

ISCC-NBS Centroid Color Charts, SRM 2106 (1965), or Color Kit, SRM 2107 (1977) which contains both

SRM 2106 and Color , an NBS Special Publication #SP 440. These can be obtained from the

National Bureau of Standards, Office of Standard Reference Materials, Washington, DC

20234. Current prices will be quoted on re- quest . Palache, C. , Berman, H. , and Frondel, C. (1944).

Dana ' s System of Mineralogy (John Wiley and

Sons, New York, 7th Ed.), I, 6. Smith, G. S. and Snyder, R. L. (1979). J. Appl.

Crystallogr. 12, 60.

Standard Reference Material 640 (1974), Silicon

Powder X-ray Diffraction Standard, obtainable

from the National Bureau of Standards, Office

of Standard Reference Materials, Washington,

DC 20234. Current price will be quoted on

request.

Swanson, H. E., Morris, M. C, and Evans, E. H. (1966). Natl. Bur. Stand. U.S. Monogr. 25, Sec. 4, 3. Visser, J. W. and de Wolff, P. M. (1964). "Absolute Intensities," Report 641.109, Technisch

Physische Dienst, Delft, Netherlands.

Visser, J. W. (1969). J. Appl. Crystallogr. 2,

89.

Wolff, de, P. M. (1968). J. Appl. Crystallogr. 1,

108.

4
Aluminum Iron, AlFe

Synonym

Iron aluminum

CAS registry no. 12042-17-0

Sample

The sample was obtained from the Metallurgy

Section of the National Bureau of Standards.

It had been heated to 800 °C for 5 days and

cooled to room temperature in 4 days.

Color

Dark gray

Structure

Cubic, Pm3m (221), Z = 1. The structure was determined by Bradley and Jay [1932].

Lattice constant of this sample

a = 2.8954(2) A

Volume o 24.274 A^

Density

(calculated) 5.666 g/cm^

Figure of merit

Fio = 52.9(0.017,11)

Additional pattern

PDF card 1-1257 [Hanawalt et al. 1938]

References

Bradley, A. J. and Jay, A. H. (1932). Proc.

Roy. Soc. Ser. A, 136, 210.

Hanawalt, J. D. , Rinn, H. W. , and Frevel, L. K. (1938). Ind. Eng. Chem. Anal. Ed. 10, 457.

0 CuKa^ K = 1.540598 A; temp

.

25±1 °C

Internal standard W, a — o — J .16524 A

d(A)

jrel Vi Ir 0 uKJt 2e(°) a = ±2

2.899 8 1 AU 0 30.82

2.048 100 1 1 Au 1.6722 3 1 1 1 54.86

1.4472 13 2 0 0 64.32

1.2949 2 2 1 0 73.01

1.1820 24 2 1 1 81.34

1.0238 8 2 2 0 97.59

.9650 1 3 0 0 105.92

.9157 9 3 1 0 114.54

.8358 4 2 2 2 134.33

5
Ammonium Cerium Nitrate, (NH4)2Ce(N03)6

Synoninn

Diammoaluin hexanitratocerate

CAS registry no. 16774-21-3

Sample

The sample was obtained from the Fisher

Scientific Co., Fair Lawn, NJ. The

material is a strong oxidant, deliquescent,

and unstable, causing some inconsistency

in intensity measurements.

Color

Unground, vivid orange

Ground, vivid yellow

Structure

Monoclinic, P2i/n (14), Z = 2. The

structure was determined by Beineke and

Delgaudio [1968].

Lattice constants of this sample

a = 13.069(3) A

b - 6.8461(12)

c = 8.1732(16)

p = 91.36(2)°

a/b

c/b

1.9090

1.1938

Volume o 731.06 a3

Density

(calculated) 2.490 g/cm^

Figure of merit

F30 = 42.9(0.016,43)

Reference

Beineke, T. A. and Delgaudio, J. (1968).

Inorg. Chem. 7, 715.

0 CuKa^ A. = 1.540598 A; temp. 25±1 °C

Internal standard Si, a = 5 43088 A

d(A)

j.rel

hkSL 2e(°)

a = ±6

7.00 100 -1 0 1 12.63

6.87 75 1 0 1 12.88

6.54 58 2 0 0 13.53

6.07 78 1 1 0 14.59

5.248 72 0 1 1 16.88

4.902 6 -1 1 1 18.08

4.849 5 1 1 1 18.28

4.731 3 2 1 0 18.74

4.122 38 -2 1 1 21.54

4.064 46 2 1 1 21.85

0 d(A) jreil

0 = ±6

bkS. 2e(°)

3.879 6 -3 0 1 22.91

3.807 5 3 0 1 23.35

3.676 27 3 1 0 24. 19

S1

1

9 0 1 2 25.35

3 . 408 26 -1 1 2 26. 13

3.375M 23 -3 1 1 26.39

3. 375M 1 1 2 26.39

3 . 328 6 3 1 1 26.77

3.269 3 4 0 0 27.26

3. 160 IL 0 2 1 28.22

3.116 23 -2 1 2 28.62

3.068 28 2 1 2 29 .08 3.032 9 2 2 0 29 .44

2.946 15 4 1 0 30.31

2 . 852 1 -2 2 1 31.34

2.791 9 -4 1 1 32.04

2. 757M 6 -3 1 2 32.45

2.757M 4 1 1 32.45

2.703 11 3 1 2 33. 11 2.654 11 1 0 3 33.75

2.623 8 0 2 2 34.16

2.579M 13 -4 0 2 34.76

2.579M -1 2 2 34.76

2.566M 17 -3 2 1 34.94

2.566M 1 2 2 34.94

2.545 11 3 2 1 35.24

2.471 11 5 0 1 36. 33

2.447 23 -2 2 2 36.69

2.441 21 5 1 0 36.79

2.421 23 2 2 2 37 . 10

2.377 22 -2 1 3 37.81

2.364 23 4 2 0 38.04

2 . 343 15 2 1 3 38.39

2.335 11 -3 0 3 38.53

2 . 285 8 3 0 3 39 .40

2.279 6 -4 2 1 39.51

2.260 6 4 2 1 39.86

2 . 248 15 1 3 0 40.08

2 197 0 3 1 41 .04

2. 177 7 6 0 0 41.44

2.132 3 0 2 3 42.37

2 . 110 15 -1 2 3 42.83

2 . 098 10 1 2 3 43.09

2 . 077M 10 2 3 1 43.53

£,9 r 077M V 1 111 5 2 0 43.53

2.060 7 -4 2 2 43.92

2.031 12 4 2 2 44.57

2.021+ 33 -5 2 1 44.80

2.021+ 3 3 0 44.80

2.000 11 6 1 1 45.30

6
Ammonium Cerium Nitrate, (NH4)2Ce(N03)6 - (continued)

o d(A)

O — To

hkA ' 2e(°)

1.978 8 4 1 3 45.83

1 CM 1 . ybari lU -i oJ 'JO . Id

11 o oz

/. ^ It:

1 . 941M 5 -1 1 ifD . /O

1 . 941M -6 0 2 46 . 76

1.929M 10 1 1 4 47.07

1 . 929M -3 2 3 47 . 07

1 . 901M oo

oJ 2 3/ "7 O O 47 . 82

1 . 901M 2 3 2

/ ~1 o o 47 . 82

1 . OO'tfl 5 0 3

/ o o o

1.864M 2 1 4 48.83

1 . 0 Jo o o z u

Q / u 1 -A oJ 1 A Q $n ty . 0 J

1 . o Xo iU oJ 1 Rfl 1 A

1.800+ 10 -4 2 3 50.68

I . (>UU+ z 1 CAOU . DO

1 7 "7 AM ooQ i

/, CI CO 3 1 . jy

1 7 7r\M 1 . / /UPl Z

oo 0 1 . 5y

1 7 A ft A 0

Auo o 3Z . Zo

1.7135 4 4 0 4 53.43

i . /uyo o -A Q z

C Q C DO . DO

1 . / uzo 0 _0~Z oZ

/, CO Qr\ D J . oU 1.6835 4 2 3 3 54.46

1.6671 5 -5 2 3 55.04

1.6615+ 9 4 1 4 55.24

1.6615+ -7 1 2 55.24

1.6557 5 2 4 0 55.45

7
Ammonium Tin Fluoride, NH4SnF3

Synonyms

Ammonium fluorostannite

Ammonium tin trifluoride

ABomonium trifluorostannate

Sample

The sample was obtained from ICN Pharmaceuticals, Inc., Plainview, NY.

Color

Pale yellow green

Optical data

Uniaxial (+) N = 1.564, N = 1.536

e o Structure

Hexagonal, R*, Z = 6. The cell was measured

on a single crystal diffTactometer by

V. Himes at NBS. The value of Z was assumed

from the reported density. Donaldson and

O'Donoghue [1964] reported this phase as being orthorhombic

.

Lattice constants of this sample

a = 6.8426(9)A

c = 15.925(3)

c/a = 2.3273

Volume o 645.73 a3

Density

(calculated) 2.989 g/cm^

Figure of merit

F30 = 61.2(0.013,38)

Additional pattern

PDF card 16-747 [Donaldson and O'Donoghue,

1964]

Reference

Donaldson, J. D. and O'Donoghue, J. D. (1964). J. Chem. Soc. 1964 , 271.

0 CuKa^ A. = 1.540598 A; temp

.

25±1 °C

Internal standard Si, a = 5

0 43088 A

0 a (.A J _rel

i hk£ OA ( o\

CJ — XD

5.559 49 1 0 1 15.93

5.311 100 0 0 3 16.68

4.759 17 0 1 2 18.63

3.422 84 1 1 0 26.02

J . J\JD / u

11 0 4

2.913 20 0 2 1 30.67

2.877 54 1 1 3 31.06

2.655 IL 0 0 6 33.73

2.377 50 0 2 4 37.81

^9 . ^9171 / 11 f,D

0£. 1 1 tU > OD

2.170 5 2 0 5 41.59

2.154 1 1 2 2 41.90

2.124 17 1 0 7 42.53

2.097 14 1 1 6 43.10

J. . J / J 0 0 Q9

1.951 39 2 1 4 46.50

1.8865 17 0 1 8 48.20

1.8515 16 3 0 3 49.17

1.8326 3 1 2 5 49.71

1 s 0 2 7

1.7102 9 2 2 0 53.54

1.6530 8 2 0 8 55.55

1.6357 7 1 3 1 56.19

1.6288 8 2 2 3 56.45

1 . J 7 J !7 1 / 0 1 7

1.5854 3 3 0 6 58.14

1.5376 3 1 0 10 60.13

1.5188 9 1 3 4 60.95

1.4878 6 1 2 8 62.36

1.4376 2 2 2 6 64.80

1.4064 6 0 1 11 66.42

8
Arsenic Bromide, hsBr^

Synonym

Arsenic tribromide

CAS registry no. 7784-33-0

Sample

The sample was obtained from the Alfa Products, Thiokol/Ventron Division, Danvers, MA. The compound decomposed rapidly in the atmosphere. Therefore, both experimental and

calculated intensities are reported. Both

gave the same 6 strongest lines, but their

order was different. The calculated intensities are based on Trotter's structure.

Color

Colorless

Structure

Orthorhombic, VliZ^li (19), Z = 4. The

structure was determined by Trotter [1965]

and Singh and Swaminathan [1967].

Lattice constants of this sample

a = 10.240(3) A

b = 12.182(2)

c = 4.3226(9)

a/b = 0.8406

c/b = 0.3551

Volume o 539.22 A^

Density

(calculated) 3.896 g/cm^

Figure of merit

F30 = 42.8(0.016,44)

References

Singh, A. K. and Swaminathan, S. (1967).

Z. Kristallogr. Kristallgeometrie Kristallphys. Kristallchem. 124, 375.

Trotter, J. (1965). Z. Kristallogr. Kristallgeometrie Kristallphys . Kristallchem.

122 , 230.

CuKa X = 1.540598 A; temp. 25+1 °C

Internal standard W, a = 3.16524

0A

obs ''^obs I T calc

peaks

bkH

obs

7.85 IL 5 1 1 0 11.26

6.09 30 34 0 2 0 14.53

5.242 6 3 1 2 0 16.90

5.128 14 19 2 0 0 17.28

4.719 8 12 2 1 0 18.79

obs ^obs

I , calc

peaks

hk£

obs

4.077 12 18 0 1 1 21 . 78

3.980 10 16 1 0 1 22.32

3.917 10 11 2 2 0 22.68

3.783 65 100 1 1 1 23.50

3.527 25 25 0 2 1 25.23

3.335 14 12 1 2 1 26. 71 3.290 18 20 3 1 0 27.08

3.185M 35 53 2 1 1 27.99

3. 185M 2 3 0 27.99

3.043 100 48 0 4 0 29.33

2 . 974 70 76 3 2 0 30 . 02

2.960 40 0 3 1 30.17

2.904 65 78 2 2 1 30.76

2.843 55 50 1 3 1 31.44

2.680 10 10 3 0 1 33.41

2 . 6I6M 12 9 3 1 1 34.25

2.616M 3 3 0 34.25

2.562M 25 22 2 3 1 35.00

2.562M 4 0 0 35.00

2.504 10 9 4 1 0 35.83

2 . 419 20 14 1 4 1 37 . 14

2.370 12 6 1 5 0 37.93

2.273 4 3 3 4 0 39.62

2.237 8 7 3 3 1 40.29

2 . 202M 6 4 4 0 1 40.96

2 . 202n 2 5 0 40 . 96

2.167M 18 17 4 1 1 41.64

2. 167M A 3 0 41.64

2.162 18 16 0 0 2 41.75

2.122 5 2 0 5 1 42.56

2 .078 25 13 1 5 1 43 .52

2.037 6 3 0 2 2 44.44

2.011 12 8 3 4 1 45.05

1.991M 10 4 1 6 0 45.52

1.991M 2 0 2 45.52

1 . 983 15 10 3 5 0 45 . 72

1.961M 20 12 2 5 1 46.27

1.961M 4 4 0 46.27

1.941 8 - 5 2 0 46.76

1.936 12 9 4 3 1 46.90

1 . 892 8 6 2 2 2 48 . 05

1.888 8 2 6 0 48.15

1.875 6 3 1 3 2 48.51

1.849 14 13 5 0 1 49.23

1.838 8 3 0 6 1 49.55

1 . 826 6 3 3 0 2 49.89

1.808 16 9 1 6 1 50.42

1.805 14 - 3 1 2 50.51

1.785 6 4 4 4 1 51.12

1 . / 0 J OD O "7 0 4

1.7453 65 47 3 6 0 52.38

1.7294 25 12 2 6 1 52.90

1.7159 8 3 1 7 0 53.35

- Calc. peak unresolved

9
Barium Aluminum Titanium Oxide, Bai .23^12 .46^15.54016

Sample

The requisite materials were ground up in

the ratio of Im BaO, Im AI2O3 and 4.5m Ti02,

heated at 800 °C for 26 hrs at 1000 °C for

5 days and at 1200 °C for 7 days with

periodic grindings

.

Color

Grayish white

Structure

Tetragonal, I4/m (87), Z = 1. The compound

is of the hollandite structure type. Its unit cell was determined by Roth [1981] on the basis of a related hollandite type

phase, whose structure was determined by

Sinclair et al. [1980]

.

Lattice constants of this sample

a = 9.9619(5) A

c = 2.9242(3)

c/a = 0.2935

Volume o 290.20 A^

Density

(calculated) 4.330 g/cm^

Figure of merit

F30 = 76.8(0.011,35)

References

Roth, R. S. (1981) private communication.

Sinclair, W. , McLaughlin, G. M. , and

Ringwood, A. E. (1980). Acta Crystallogr.

B 36 , 2913.

0 CuKa^ A. = 1.540598 A; temp

.

25±1 °C

Internal standard Ag, a = 4.

0 08651 A

0 d(A) jrel hk£ 26(°) a = ±2

4.973 3 2 0 0 17.82

3.524 21 2 2 0 25.25

3. 153 100 3 1 0 28.28

2.805 7 1. 0 1 31.88

2.490 3 4 0 0 36.04

2.445 34 2 1 1 36.73

2.228 24 4 2 0 40.45

2. 194 39 3 0 1 41.10

2.0082 8 3 2 1 45. 11 1.9542 9 5 1 u 46.43

1.8629 25 4 1 1 48.85

1.7603 5 4 4 0 51.90

1 .7084 5 5 3 0 53.60

1 .6602 20 6 0 0 55.29

1.6462 2 4

3J 1 55.80

1.5748 3 6 2 0 58.57

1.5631 30 5 2 1 59.05

1.4618 7 0 0 2 63.60

1.4317 3 1 1 2 65.10

1.4288 6 6 1 1 65.25

1.4087 2 5 5 0 66.30

1.4030 3 2 0 2 66.60

1.3736 21 5 4 1 68.22

1.3260 6 3 1 2 71.03

1.3239 5 6

QJ 1 71.16

1.3085 8 7 3 0 72.13

1.2798 IL 7 0 1 74.01

1.2609 3 4 0 2 75.31

1.2413 2 3 3 2 76.71

1 .2396 2 7 1 76.84

1 .2224 1 4 2 2 78. 12

1 .2082 1 8 2 0 79.22

1.1740 4 6 6 0 82.01

1.1707 3 5 1 2 82.29

1.1581 2 7

cD U 83.39

1.1383 2 7 4 1 85.17

1 .1136 2 8 4 0 87.53

1.0999 4 9 1 0 88.91

1.0972 6 6 0 2 89.18

1.0830 2 8 3 1 90.67

1.0715 IL 6 2 2 91.93

1.0352 IL 9 0 1 96.16

1.0135 5 9 2 1 98.93

10
Barium Manganese Oxide, BaMn04

Synonym

Barium manganate

CAS registry no. 7787-35-1

Sample

The sample was prepared at NBS using the

procedure given by Schlesinger and Siems

[1924] and Jellinek [I960].

Color

Blackish purple

Structure

Orthorhombic, Pbnm (62), Z = 4, isostructural with BaS04. The structure was studied by Jellinek [I960].

Lattice constants of this sample

a = 7.3360(9) A

b = 9.1101(12)

c = 5.4982(9)

a/b = 0.8053

c/b = 0.6035

Volume o 367.45 a3

Density

(calculated) 4.633 g/cm^

Figure of merit

Fgo = 78.6(0.011,36)

Additional pattern

PDF card 1-569 [Hanawalt et al., 1938]

References

Hanawalt, J. D., Rinn, H. W. , and

Frevel, L. K. (1938). Ind. Eng. Chem.

Anal. Ed. 10, 457.

Jellinek, F. (1960). J. Inorg. Nucl. Chem.

13, 329.

Schlesinger, H. I. and Siems, H. B. (1924).

J. Am. Chem. Soc. 46, 1965.

CuKa k = 1.540598 A; temp. 25±1 "C

1 o Internal standard W, a = 3.16524 A

d(A) l"^^^ hkl lec)

a = ±3

5 716 2 1 1 0 15 49

4 560 6 0 2 0 19 45

4 403 13 1 0 1 20 15

3 962 37 1 1 1 22 42

3 870 6 1 2 0 22 96

3 670 35 2 0 0 24 23

3 507 100 0 2 1 25 38

3 402 70 2 1 0 26 17

3 164 100 1 2 1 28 18

2 892 66 2 1 1 30 89

O d(A)

^rel

I a = ±3

bkS. 2e(°)

2.858 3 2 2 0 31.27

2.807 13 1 3 0 31.86

2.750 45 0 0 2 32.53

2.535 13 2 2 1 35.38

2.499 3 1 3 1 35.91

2.478 2 1 1 2 36.22

2.361 9 3 1 0 38.09

2.353 11 0 2 2 38.22

2.340 5 2 3 0 38.44

2.277 2 0 4 0 39.55

2.240 20 1 2 2 40.23

2.200 4 2 0 2 41.00

2.174 76 1 4 0 41.51

2.170 75 3 1 1 41.59

2.151 53 2 3 1 41.96

2. 138 46 2 1 2 42.23

2.104 13 0 4 1 42.95

1.9642 7 1 3 2 46.18

1.9051 24 3 3 0 47.70

1.8340 6 4 0 0 49.67

1 .7982 13 4 1 0 50.73

1.7683 3 1 5 0 51.65

1.7444 3 1 1 3 52.41

1.7058 28 1 4 2 53.69

1.7011M 26 4 2 0 53.85

1.7011M 0 2 3 53.85

1.6838 4 1 5 1 54.45

1.6566 10 1 2 3 55.42

1.6251 4 4 2 1 56.59

1.6136 7 2 1 3 57.03

1.5648M 22 3 3 2 58.98

1 . 5648M 2 5 1 58.98

1.5422 1 2 2 3 59.93

1.5261 2 4 0 2 60.63

1.5090 5 4 3 1 61.39

1.5050 5 4 1 2 61.57

1.4874M 3 1 5 2 62.38

1.4874M 1 6 0 62.38

1.4616 8 3 5 0 63.61

1.4470 8 4 2 2 64.33

1.4431 9 2 3 3 64.52

1 . 4350 10 1 6 1 64.93

1.4289 3 4 4 0 65.24

1.4174 4 5 0 1 65.84

1.4119 8 3 5 1 66.13

1.3965M 3 5 2 0 66.95

1.3965M 3 2 3 66.95

1.3823 5 4 4 1 67.73

1.3596 2 2 6 1 69.02

1.3535 5 5 2 1 69.38

11
Barium Neodymium Titanium Oxide, BaNd2Ti30io

Synonym

Barium neodymium titanate

Sample

Stoichiometric amounts of BaO, Nd203, and

Ti02 were ground together and heated at 1200 °C for one day, then at 1425 °C for 6 days and finally at 1500 °C for 7 days with

intemittent grindings

.

Color

Very pale violet

Structure

Orthorhombic Amam (63) 2=4 [Kolar et al.,

1981]. The structure is pseudo-orthorhombic,

but the true symmetry is monoclinic with a double "c" [Olsen et al., 1981].

Lattice constants of this sample

a = 7.624(1) A

b = 28.164(3)

c = 3.8654(6)

a/b = 0.2707

c/a = 0.1372

Volume o 829.99 A3

D'ensity

(calculated) 5.838 g/cm^

Figure of merit

F30 = 58.7(0.012,43)

Additional pattern

Kola- et al. [1981]

Reference.

Olsen, A. , Goodman, P. , and Roth, R. S. (1981). Int. Union Crystallogr. Meeting,

Ottawa

.

Kolar, D. , GabersJek, S., Volavsek, B.,

Parker, H. S., and Roth, R. S. (1981).

J. Solid State Chem. 38, (2), 158.

0 CuKa^ K = 1.540598 A; temp

.

25±1 "C Internal ^ 1" a nHa "TtK Oi , 43088 A

0 d(A)

jrei hk£ 2e(°) a = ±5

14.02 IL 0 2 0 6.30

5 . 172 IL ]^ 4 17 . 13

/ £ 0 "T H . 00 7 64 0 5 0 18.92

3 . 994 9 1 6 0 22.24

J.OZ9 18 0 1 1 23.21

3.811 IL 2 0 0 23.32

3.573 1 0 3 \ 24.90

0 CIA J . DZU IL 0 g 0 25 . 28

14 1 1 1 26.03

3 . 239 13 1 3 1 27.52

3.195 23 1 g 0 27.90

3 . loo 24 0 5 \ 0 T no 27 . 98

0 nc 0 100 2 0 30 . 19

0 01/. Z .814 13 0 10 0 31 . 77

0 "70 c / . /OD 60 0 7 1 32 . 11

2.701 45 2 \ 33.14

4. . OH 1 g 10 0 3j . 9

1

Z . olo 7 7 \ 34.25

1 COT Z , DO/ 9 2 8 00 / Cc 34.65

5 2 5 1

2.346 43 0 12 0 38.33

Z . Jits s g 1 JO . oz

0 OCA z . z5U 41 2 7 1/.A A /. 40 , 04

0 1 0 /. 3 0 11 1 4z . ^1

z . 1 10 6 3 1 1 4Z . 00

2.070 8 3 3 1 43.69

2 . 055 10 \\ 1

/. /. AO 44 . Oz

0 AC 1 Z . UDl 10 2 9 \

/. /. 10 44 . Iz

2 .012 0 14 0 45.03

1 . 998 22 2 12 0 45 . 35

1.9330 18 0 0 2 46.97

1.9069 21 4 0 0 47.65

1.8898M 12 0 13 1 48.11

1.8898M 4 2 0 48.11

1.8351 IL 1 13 1 49.64

1 7873 7 0 6 2 51 06

1 7660 8 4 6 0 51 72

1 7600 6 0 16 0 51 91

1 7572 5 3 9 1 52 00

1 7234M 5 3 12 0 53 10

1 7234M 2 0 2 53.10

1 7153 5 1 16 0 53.37

1 6935M 49 0 8 2 54.11

1 6935M 2 13 1 54.11

1 6352M 7 4 5 1 56.21

1 6352M 3 11 1 56.21

1 6182 24 2 6 2 56.85

1 5979 3 2 16 0 57.64

1 5941 3 0 10 2 57.79

1 5735 20 4 7 1 58.62

12
Barium Neodymium Titanium Oxide, BaNd2Ti30io " (continued)

d(A) a = ±5

hk£ 2e(°)

1.5650 7 0 18 0 58.97

1.5330 4 1 18 0 60.33

1 .5231 3 0 17 1 60.76

1 .4926M 7 1 17 1 62. 14

1 .4926M 0 12 2 62. 14

1.4797 7 4 12 0

1 . 4476M 7 2 18 0 64.30

1 .4476M 3 16 0 64 . 30

1 .4079 3 0 20 0 66.34

1.3938 8 0 14 2 67 . 10

1.3892 10 2 12 2 67.35

1.3841M 22 0 19 1 67.63

1 . 3841M 4 14 0 67.63

1 . 3569 8 4 0 2 69 . 18

1 .3421 4 4 13 1 70.05

1.3327M 3 4 4 2 70.62

1.3327M 3 18 0 70.62

1 . 1

J

1 o

2. 2U 0 /1 .52. 1.3036 8 4 6 2 11. kk

1.3011 10 2 19 1

13
Benzidine Hydrochloride, Ci2Hi2N2'2HC1

Synonym

(l-l-Biphenyl)-4,4-diamine dihydrochloride

CAS registry no. 531-85-1

Sample

The sample was obtained from Mallinckrodt

Chemical Co., St. Louis, MO. Only one intensity pattern was made because the

compound is carcinogenic.

Color

Colorless

Structure

Triclinic, PI (2), Z = 1. The structure was determined by Koo et al. [1942].

Lattice constants of this sample

a = 5.760(2) A

b = 12.585(3)

c = 4.3533(11)

a = 95.55(3)°

P = 98.67(3)

Y = 101.55(3)

a/b = 0.4577

c/b = 0.3459

Volume o 302.86 A^

Density

(calculated) 1.409 g/cm^

Figure of merit

F30 = 50.8(0.013,33)

Additional pattern

PDF card 7-744 [Polytechnic Inst, of Brooklyn,

Brooklyn, NY, 1955]

Reference

Koo, C. H., Kim, H. S., and Shin, H. S. (1972).

Daehan Hwahak Hwoejee (J. Korean Chem. Soc.)

16, 18.

0 CuKa^ X = 1.540598 A; temp. 25±1 °C

Internal standard W, a = 3.16524

0A

d(A) jrelhkS. 2e(°)

12.18 10 0 1 0 7.25

5.545 80 1 0 0 15.97

4.689 8 1 1 0 18.91

4.648 16 -1 2 0 19.08

4.263 10 0 0 1 20.82

0 d(A)

rel

I hkJl 2e(°)

4.201 30 0 -1 1 21 . 13

3.870 6 0 1 1 22.96

3.734 100 0 -2 1 23.81

3.583 18 -1 1 1 24.83

3.520 6 -1 -1 1 25.28

3.301 6 0 2 1 26.99

3.208 45 1 -1 1 27.79

3.160 25 0 -3 1 28.22

3.128M 30 1 0 1 28.51

3.128M -1 -2 1 28.51

3.072 50 1 -2 1 29.04

2.987 14 1 3 0 29.89

2.963 8 -1 4 0 30.14

2.882 10 1 1 1 31.00

2.848 12 -2 1 0 31.38

2.774 25 0 3 1 32.25

2.703 10 -1 -3 1 33.11

2.655 2 0 -4 1 33.73

2.590 6 2 1 0 34.60

2.567 8 1 2 1 34.92

2.538 10 -2 0 1 35.33

2.474 4 1 -4 1 36.28

2.461 8 1 4 0 36.48

2.453 8 -2 2 1 36.61

2 . 444M 10 0 5 0 36.75

2 . 444M -1 5 0 36.75

2.429 4 -2 -1 1 36.98

2 . 342M 12 2 2 0 38.41

2 . 342M 0 4 1 38.41

2.249 6 -2 -2 1 40.06

2. 172 4 1 -5 1 41.54

2.150 4 0 -1 2 41.99

2.129 8 2 -3 1 42.43

2.120 10 -1 0 2 42.61

2.104 8 -1 -1 2 42.96

2.076 6 1 5 0 43.56

2.056 6 0 1 2 44.00

2.046 10 -2 -3 1 44.24

2.037 10 0 6 0 44.43

2.012M 2 -1 -5 1 45.03

2.012M 0 5 1 45.03

2.003 2 2 -4 1 45.24

1.939 2 0 -6 1 46.82

1.9179M 2 1 -1 2 47.36

1.9179M -1 -3 2 47.36

1.9103 2 1 -6 1 47.56

1.8850 2 1 0 2 48.24

1.8795 2 -2 5 1 48.39

1.8636 4 2 4 0 48.83

1.8473M 6 -2 6 0 49.29

1.8473M -2 -4 1 49.29

1.8431M 6 -2 1 2 49.41

1.8431M -3 1 1 49.41

14
Beryllium Nitride, Be'3N2

CAS registry no. 1304-54-7

Sample

The sample was obtained from Brush Beryllium

Co., Cleveland, OH. The lattice constant

reported here was obtained from a thin

sample on a slide smeared with high vacuum

grease. The peak positions from a thick

sample are shifted to lower angles resulting from the penetration of the beam owing

to the unusually low absorption of the

sample. For a thick sample an apparent

lattice parameter of 8.150 A would be

expected for lines below 100° 26.

Color

Light gray

Structure

Cubic, Ia3 (206), Z = 16. The structure

was determined by von Stackelberg and

Paulus (1933).

Lattic constant of this sample

a = 8.1482(2)A

Volume o 540.98 A^

Density

(calculated) 2.704 g/cm^

Polymorphism

There is a hexagonal p-form, prepared by

heating the cubic form above 1400 °C.

Figure of merit

F30 = 56.3(0.013,41)

Additional pattern

PDF card 4-786 [von Stackelberg and Paulus,

1933]

References

Eckerlin, P. and Rabenau, A. (1960). Z. Anorg. Allgem. Chem. 304, 218.

Stackelberg, von, M. and Paulus, R. (1933).

Z. Phys. Chem. Leipzig B22, 305.

0 CuKa^ X = 1.540598 A; temp

.

25±1 °C

Interna] W J c = 3.

0

1 A 0 A A

0 H c A

> rel

1 hkjK a = ±2

'

** . U / Z

1 T

ill Z 0 0 Z 1 . 0 1 3.328 17 2 1 1 26.77

2.351 100 2 2 2 38.25

2.178 5 3 2 1 41.43

2.037 5 4 0 0 44.43

11 1 1 't/ . zB 1.8223 IL 4 2 0 50.01

1.7367 9 3 3 2 52.66

1.5974 3 4 3 1 57.66

1.4883 IL 5 2 1 62.34

AH 4 0 OH . DO

1.3973 IL 4 3 3 66.91

1.3216 2 6 1 1 71.30

1.2571 2 5 4 1 75.58

1.2281 10 6 2 2 77.69

3 1 7 n 7 c 1.1088 3 7 2 1 88.01

1.0348 2 6 5 1 96.21

1.0186 4 8 0 0 98.26

1.0031 IL 7 4 1 100.34

1 T

ILi 0 5 3 lU^ . oz

.9604 IL 6 6 0 106.65

.9472 IL 7 4 3 108.82

.9347 5 6 6 2 110.99

.9228 IL 7 5 2 113. 18

. Oyyo 1 T 00 3 3 117 7A .8890 IL 8 4 2 120. 11 .8787 IL 7 6 1 122.49

.8589 IL 7 5 4 127.48

.8404 4 9 3 2 132.87

.8316 12 8 4 4 135.71

.8231 IL 9 4 1 138.75

.8148 IL 8 6 0 141.95

.8068 1 10 1 1 145 . 42

.7990 IL 10 2 0 149.21
Bismuth Selenide (Paraguanajuatite), Bi2Se3

CAS registry no. 12068-69-8

Sample

The sample was obtained from Alfa Products,

Thiokol/Ventron Division, Danvers, MA.

Color

Unground, gray metallic

Ground, dark gray

Structure

Hexagonal, R3m (166), Z - 3, isostructural

with tetradymite, Bi2Te2S. The structure

of BiaSea was refined by Nakajima [1963],

following earlier work by Semiletov and

Pinsker [1955].

Lattice constants of this sample

a = 4.1396(4)A

c = 28.636(4)

c/a = 6.9176

Volume o 424.97 A^

Density

(calculated) 7.676 g/cm^

Figure of merit

F30 = 54.4(0.012,44)

Additional patterns

PDF card 12-732 [Thompson, R. M. , Univ.

British Columbia, Vancouver, Canada]

Gobrecht et al. [1964]

Godovikov [1962]

References

Gobrecht, H. , Boeters, K.-E., and Pantzer,

G. (1964). Z. Phys. 177, 68.

Godovikov, A. A. (1962). Zh. Strukt. Khim.

3, 44.

Nakajima, S. (1963). J. Phys. Chem. Solids

24, 479.

Semiletov, S. A. and Pinsker, Z. G. (1966).

Dokl. Akad. Nauk SSSR 100, 1079.

0 CuKa, \ = 1.540598 A; temp. 25±1 °C

Internal standard Ag, a = 4. 08651 A

0 ^rel

1 hk£ lay ) a = ±1

9.56 7 0 0 3 9.24

4.777 19 0 0 6 18.56

3.559 16 1 0 1 25.00

3.478 3 0 1 2 25.59

3.205 7 1 0 4 27.81

3.183 4 0 0 9 28.01

3.040 iUU A

u 1 5 29.36

2.698 IL 1 0 7 33.18

2.534 2 0 1 8 35.39

2.386 IL 0 0 12 37.67

2.238 26 1 0 10 40.27

2.106 AU 1 11 42.92

2.070 26 1 1 0 43.70

1.9085 8 0 0 15 47.61

1.8998 8 1 1 6 47.84

1.8780 2 1 0 13 48.43

1.7893 d. AU 2 1 51.00

1.7782 IL 2 0 2 51.34

1.7392 2 0 2 4 52.58

1.7349 2 1 1 9 52.72

1.7102 10 2 0 5 53.54

1.6007 5

11 0 16 57.53

1.5909 1 0 0 18 57.92

1.5191 7 0 2 10 60.94

1.4770 1 2 0 11 62.87

1 . 4029 7 1 1 15 66.61

1.3636 IL 0 0 21 68.79

1.3296 4 0 1 20 70.81

1.3186 7 1 2 5 71.49

1.2667 2 0 2 16 74.91

1.2245 4 2 1 10 77.96

1.2019 3 1 2 11 79.72

1.1950 3 3 0 0 80.27

1.1763 IL 0 1 23 81.82

16
Calcium Borate, CaB204

Synonym

Calcium metaborate

CAS registry no. 13701-64-9

Sample

The sample was prepared by fusion of B2O3 and

CaCOs using a small excess of fused B2O3. The

sample was quenched. Later, it was annealed in

a sealed platinum tube and held at 945 °C for

31 days, then quenched again.

Color

Colorless

Structure

Orthorhombic , Pnca (60), Z = 4. was determined by Marezio et al.

lattice constants of this sample

a = 6.2156(5) A

b = 11.607(13)

c = 4.2828(6)

The structure

[1963]

.

a/b

c/b

0.5355

0.3690

Volume o 308.98 A^

Density

(calculated) 2.702 g/cm^

Polymorphism

Calcium borate crystallizes in 4 forms,

depending on the pressures used in its

synthesis. Form I, described here, exists

up to pressures of 12 kbars. Form II occurs

at pressures of 12-15 kbars, form III at 15-25 kbars, and form IV at 25-40 kbars

[Marezio et al., 1969].

Figure of merit

F30 = 55.5(0.013,42)

Reference intensity

I/I . = 1.11(2) corundum

Additional patterns

PDF card 18-281 [Stojanovic, Inst, for Refractories, Kraljevo, Yugoslavia]

PDF card 23-407 [Fletcher et al., 1970]

Morris et al. [1978]

References

Fletcher, B. L. , Stevenson, J. R. , and

Whitaker, A. (1970). J. Amer. Ceram. Soc.

53, 95.

Marezio, M. , Plettinger, H. A., and

Zachariasen, W. H. (1963). Acta Crystallogr.

16, 390.

Marezio, M. , Remeika, J. P., and Dernier,

P. D. (1969). Acta Crystallogr. 25B, 965.

Morris, M. C, McMurdie, H. F. , Evans, E. H. , Paretzkin, B. , de Groot, J. H. , Weeks, B.,

and Newberry, R. J. (1978). Natl. Bur. Stand.

U.S. Monogr. 25, Sec. 15, 136.

CuKa^ \ 1.540598 A; temp. 25±1

J.lll'CI. lid X standard Ag, a — 4 0R6S1 A

0 jreil

hk£

a = ±2

J < o\jy 15 0 2 0 38 1 \ 3.109 18 2 0 0 28.69

3.002 100 2 1 0 29.74

<. • y\j^ 16 0

/. n 7Q

£- • 0 1 £- 0 \ J i. . ± ^

0 7^Q 12 2 2 0 ^9 67

27 1 Q 11 ^i '^7 2.308 1 2 2 1 38.99

2.241 10 1 4 1 40.21

2.140 25 0 0 2 42.20

2.120 20 2 4 0 42.62

2.040 3 0 5 1 44.38

2.009 8 0 2 2 45.08

1.938 36 1 5 1 46.83

1.9107 6 1 2 2 47.55

1.9009 6 2 4 1 47.81

1.8604 3 2 5 0 48.92

1.8420 26 3 1 1 49.44

1.7641 3 2 0 2 51.78

1.7438 4 2 1 2 52.43

1.7234 3 0 4 2 53.10

1.6959 2 1 6 1 54.03

1.6872 5 2 2 2 54.33

1.6804 6 3 3 1 54.57

1.6424 6 2 6 0 55.94

1.6048 1 2 3 2 57.37

1.5689 IL 3 4 1 58.81

1.5533 1 4 0 0 59.46

1.5465 1 0 7 1 59.75

1 5339 1 2 6 1 60 29

1 5066 8 2 4 2 61 50

1 5006M 11 4 2 0 61 77

1 5006M 1 7 1 61 77

1 4770 IL 3 1 2 62 87

1 -7
Calcium Borate, €36204 - (continued)

0 d(A)

j.rel

a = ±2

hkJ^ 2e(°)

1.4538 I 3 5 1 63.99

1 . 4418M I 3 2 2 fiii 59

1 . 4418M 4 3 0 6/i 59

1 . 3701 IL 4 4 0 68 . 42

1 . 3393 I 0 3 3 70 . 22

1.3143 1 2 8 0 71.76

1 . 3091 3 3 3 7? 09

t; 2 2 72 . 44

3 7 76 R7

i > zoo;} ±

/,*+

i; ± 77 07

1.2292 2 4 2 2 77.61

1 . 21 14M 4 4 5 0 78 . 97

1 . 2114M 9 78 .97 1.1912 5 2 9 0 80 . 58

1 . 1874 3 5 1 1 80.89

1.1694M 2 3 1 3 82.40

1 . 1694M 5 2 1 82.40

1 . 1608 2 0 10 0 83 . 15

1 . 1539 2 4 4 2 83 . 76

1 . 1409 5 3 1 84.93

1.0877M 1 9 2 90.18

1 . 0877M 2 10 0 90 . 18

1 0607M 3 9 1 93 . 14 1.0607M 4 8 0 93.14

1.0359M 6 0 0 96.08

1.0359M 5 3 2 96.08

1.0318 IL 6 1 0 96.58

1.0197 3 6 2 0 98.12
Calcium Cyanamide, CaCN2

CAS registry no. 27668-50-4 CuKa^ \ = 1 540598

0A; temp. 25±1

Sample Interna] standard Si, a = 5 43088 A

The sample was from Alfa Products , Thiokol/

Ventron Division, Danvers, MA. The sample

d(A) ,rel hk£ 2e('') contained some graphite and the intensities

may be somewhat in error. a = ±4

Color 4 916 20 0 0 3 18 03

Black 2 936 100 0 1 2 30 42

2 457 4 0 0 6 36 54

Structure 2 416 23 1 0 4 37 19

Hexagonal, R3m (166), Z = 3. The structure 2 170 21 0 1 5 41 58

OX vteHjao wdb uioCUoocu uy Drreuxg [ LyH^j <iiiu Dehlinger [1942]. It was determined by 1 848 28 1 1 0 49 26

Vannerberg [1962]. 1 759 7 1 0 7 51 94

1 730 6 1 1 3 52 87

Lattice constants of this sample 1 6389 1 0 0 9 56 07

a = 3.6961(6) A

1 5964 3 0 1 8 57 70

c = 14.743(3)

X 7 2 u DO QQyo

c/a = 3.9888 1

1

4764

4686

z

2

1012

6

4

62

63

90

27

Volume o 174.42 A3

1

1

4060

3390

332

1

0

0

510

66

70

44

24

Density

(calculated) 2.288 g/cm^

1

1

1

2742

2288

1942

n

0

1

20

2

7 12

2

74

7780

39

64

34

Figure of merit

F20 = 43.2(0.018,26)

1

1

1491

1192

2

1

124

5

84

86

1998

Additional patterns

PDF card 16-685 [Vannerberg, 1962]

References

Bredig, M. A. (1942). J. Am. Chem. Soc.

64, 1730.

Dehlinger, U. (1942). Z. Kristallogr.

Kristallgeometric Kristallphys . Kristallchem.

65, 286.

Vannerberg, N-G. (1962). Acta Chem. Scand.

16, 2263.

19
Calcium Iron Oxide, CaFe204

Synonym

Calcium ferrate

CAS registry no. 12013-33-1

Sample

The sample was prepared from stoichiometric

amounts of CaCOs and a-Fe203, blended by

grinding in an agate mortar. Initial heat

treatments at 600°, 800°, and 900 °C for

periods of 20 hrs. were used to drive off

CO2 from the mixture. Successively higher

heat treatments at 1050 °C for 6\ days and

1200 °C for 13 days, with periodic grinding

were performed to ensure complete reaction.

Color

Unground, dark grayish red

Ground, medium brown

Structure

Orthorhombic , Pnam (62), Z = 4, isomorphous

with p-calcium chromite. Structure determinations were made by Hill et al. [1956]

and by Decker and Kasper [1957].

Lattice constants of this sample

a = 9.2281(13) A

b = 10.7052(12)

c = 3.0185(5)

a/b = 0.8620

c/b = 0.2820

Volume o 298.19 A^

Density

(calculated) 4.806 g/cm^

Figure of merit

F30 = 48.9(0.015,41)

Additional patterns

PDF card 8-100 [Hadfields, Ltd., Sheffield,

England]

PDF card 19-219 [Hughes et al., 1967]

Burdese [1952]

Decker and Kasper [1957]

References

Burdese, A. (1952). Ric. Sci. 22, 259.

Decker, B. F. and Kasper, J. S. (1957).

Acta Crystallogr. 10, 332.

Hill, P. M., Peiser, H. S., and Rait, J. R. (1956). Acta Crystallogr. 9, 981.

Hughes, H. , Roos, P., and Goldring, D. C. (1967). Mineral. Mag. 36, 280.

0 CuKOj^ k = 1.540598 A; temp

.

25±1 °C

Internal standard Si, a — 3 .

0

1 ^ f\ n n A 43088 A

d(A) jrel 2e(°)

a = ±3

5.349 2 0 9 16.56

4.612 20 2 19.23

3.492 9 2 2 0 25.49

3.329 2 1 3 0 26 . 76

2.956 4 3

1X 30.21

2.905 6 0

1 1X 30.75

2.826 2 2

Q 31 .64

2.770 4 1 1 1 32.29

2.675 85 0 4 0 33.47

2.668 100 3

0 33.56

2.572 4 1 0 34.85

2.527M 70 1

1X 35.49

2.527M 2 0 1 35 .49 2.331 2 3 3 0 38.59

2.314 2 2

AH 38.88

2 . 305M 4 4 0 0 39.05

2.305M 0 J \ 39.05

2.254 4 4 1 0 39.97

2.236 24 1 3 1 40.31

2.118 16 4 2 0 42.66

2. 113 20 3 \ 42. 77 2.086 3 1 0 43.35

2.061 2 2 3 1 43.90

1 .999 2 3 2 1 45 . 34

1.957 9 1 A 1X 46.35

1 .942 1 2 46.73

1.845 12 3

3

J

1X 49.35

1 .837 37 2 4 1 49 .59

1 .832 40 4 0 1 49 . 72 1.807 10 4 1

11 50.47

1.7581 2 3

c:D u 51 .97 1.7528 3 1 D

A 52. 14

1 . 7463M 6 4 4 0 52.35

1 . 7463M 0 5 1 52.35

1.7349 2 4 9 1X 52.72

1 . 6640 10 2 D 55 . 15 1.6325 2 2 J

1X 56.31

1.6301 2 4

3

\ 56.40

1 .5432 12 3 6 0 59.89

1.5376 13 6 0 0 60. 13

1.5231 2 6 1 0 60.76

1.5186M 12 5 4 0 60.96

1.5186M 3 5 1 60.96

1.5150 27 1 6 1 61.12

1.5086M 38 0 0 2 61.41

20
Calcium Iron Oxide, CaFe204 - (continued)

o d(A) a = ±3

2e(°)

1 . jUOOil 1X 7 n U X . H X

1 L^fiQ 0 6 1X . ot

± • H*tX\/ ITXXj J

1X 64. 63

1X1X 0 0 fii. Q9

1.4352M 2 0 2 64.92

1 At 1 1X 4 5 0 66 IS

X • 00\J\J 1 T XXi £. 2 9 VJ / . J J

0 1X 5 0£. X • J / *T / 11

-5 1X UO > 1 u 1.3708 1 6 0 1 68.38

2 \ 7 6Q SQ

X • J

X

2 0 3 0 70 99

1 . 3335 6 4 0 70.57

X 1 u 2 \ 70

1.3242 3 1 8 0 71.14

X • J XO

1

14 2 2 71 SO

X • D^J U ITXXj 1X A 9 79 SR

1 9ftsn 1

T

XXj sO 0 7^ 66

1.2795M 2 7 2 0 74 0^

1.2795M 6 3 1 74.03

1.2785 2 4 6 1 74.10

1 . 2642 IL 2 4 2 75.08

1.2487 1 6 5 0 76.18

1.2289 1 4 2 2 77.63

1.2197 IL 6 4 1 78.33

1.2127 IL 1 8 1 78.87

21
Calcium Sulfate Hydrate (Bassanite), CaS04'0.5H20

Synonym

Plaster of Paris

CAS registry no. 10034-76-1

Sample

The sample was prepared at NBS by adding H2SO4

to an aqueous solution of Ca(N03)2 to form

CaS04'2H20. The wet fresh material was mixed

with concentrated HNO3, heated at 80 °C, and

held there for several days. Extremely fine

crystals developed and were bottled while

still moist. Just before measurements were

taken, the crystals were dried in air at room temperature. The material was somewhat

unstable, slowly changing to CaS04 '21120 under

conditions of high atmospheric humidity.

Polymorphism

Two forms, a and p have been described by

several authors, as noted by Clifton [1972].

He concluded that although slight differences

have been observed between the properties of

the two forms, it could not be conclusively

determined whether the differences were sufficiently significant to consider the

supposed a and P forms as separate

entities

.

Figures of merit

F30 = 17.6(0.017,99)

M20 = 17.6

Additional patterns

PDF card 24-1067 [Rowe and Bigelow, 1972,

The University of Michigan]

Consistent intensity data were difficult to obtain. The data here were measured on samples which had been side-drifted into

holders, with no further packing or smoothing. Other measurements on packed samples

showed different intensities; in particular, the reflection at d=2.807 showed

values as low as 19, and at d=1.847, the

packed samples had values as low as 29.

Color

Colorless

Structure

Pseudo-orthorhombic, I***, Z = 12. The

literature on CaS04*0.5H20 is extensive and

confusing as noted by Gay [1965] and Clifton

[1972]. The cell below was modified from

one given by Gay [1965] who stated that the

true symmetry was monoclinic, with P = 90°.

This NBS cell was also consistent with one found by use of the Visser program and

associated refinement procedures. Bushuev

[1980] reported a similar monoclinic cell

for CaS04-0.67H20 with a=12.028, b=38.022,

c=6.927, y=90.21°, space group 12. There

was no evidence to require the monoclinic

cell for NBS data.

Lattice constants of this sample

a = 12.031(4) A

b = 12.695(6)

c = 6.934(2)

a/b = 0.9477

c/b = 0.5462

Volume o 1059.1 A3

Density

(calculated) 2.731 g/cm^

PDF card 24-1068. The data is attributed

to Weiser et al. [1936] but differs from the

journal reference quoted.

Powell [1962]

References

Bushuev, N. N. (1980). Dokl. Akad. Nauk. SSSR

225 (No. 5), 1104.

Clifton, J. R. (1972). J. Res. Natl. Bur. Stand. Sect. A 76A, 41.

Gay, P. (1965). Mineral. Mag. 35, 354.

Powell, D. A. (1962). Aust. J. Chem. 15,

868.

Weiser, H. B. , Milligan, W. 0. , and Ekholm,

W. C. (1936). J. Amer. Chem. Soc. 58, 1261.

0 CuKa^ \ = 1 540598 A; temp

.

25±1 °C

Internal standard Si, a = 5 43088 A

d(A) jrel

hkS. 2e(°) a = ±4

6.00 70 1 0 1 14.76

4.360M 4 2 2 0 20.35

4 . 360M 1 2 1 20.35

4.283 2 2 1 1 20.72

3.989 1 1 3 0 22.27

3.826 1 3 1 0 23.23

3.613 1 0 3 1 24.62

3.469M 54 3 0 1 25.66

3 . 469M 0 0 2 25.66

3.225 1 1 1 2 27.64

3.042 15 0 2 2 29.34

3.006M 100 4 0 0 29.70

3.006M 2 0 2 29.70

2.807M 86 2 4 0 31.86

2 . 807M 1 4 1 31.86

22
Calcium Sulfate Hydrate (Bassanite), CaS04'0.5H20 - (continued)

o d(A)

^rel

I a = ±4hkS. 2e(°)

2.717M 8 4 2 0

, 32.94

2.717M 2 2 2 32.94

2.617 IL 1 3 2 34.24

2.570 IL 3 1 2 34.88

2 . 343M 6 3 4 1 38.39

2.343M 0 4 2 38.39

2.273+ 5 5 0 1 39.62

2.273+ 4 0 2 39.62

2.228 2 3 3 2 40.46

2. 184M 4 4 4 0 41.31

2 . 184M 2 4 2 41.31

2. 139+ 22 5 2 1 42.21

2. 139+ 4 2 2 42.21

2. 117 8 0 6 0 42.68

2.028 IL 0 3 3 44.64

2.004 2 6 0 0 45.20

1.954 1 5 1 2 46.44

1.909 8 3 2 3 47.59

1.847M 56 4 4 2 49.31

1.847M 1 4 3 49.31

1.736 6 6 0 2 52.69

1.6947M 14 6 4 0 54.07

1.6947M 3 4 3 54.07

1.6674M 9 7 0 1 55.03

1.6674M 5 0 3 55.03

1.6123M 1 5 2 3 57.08

1.6123M 2 2 4 57.08

1.5789 IL 3 1 4 58.40

1.5495 1 5 6 1 59.62

1 .5348+ 1 6 5 1 60.25

1 .5348+ 2 8 0 60.25

1.5213 1 0 4 4 60.84

1.5035M IL 6 1 3 61.64

1.5035M 8 0 0 61.64

1.4753M 3 5 4 3 62.95

1.4753M 2 4 4 62.95

1.4618 IL 4 2 4 63.60

23
Carbamazepine, p-Ci5Hi2N20

Synonyms

5H-Dibenz (b , f )a2epine-5-carboxamide

Carbamazepen

Carbazepine

Tegretal

CAS registry no. 298-46-4

Sample

The sample was the U.S. Pharmacopoeia Reference Standard recrystallized from benzene.

Color

Colorless

Optical data

Biaxial. = 1.600, Ng = 1.675, N = 1.745.

2V is very large. ^

Structure

Monoclinic, P2i/n (14), 2=4. The structure was determined by Himes et al. [1981].

Lattice constants of this sample

a = 13.918(7) A

b = 11.159(5)

c = 7.543(4)

p = 92.84(5)"

a/b = 1.2472

c/b - 0.6760

Volume o 1170.1 A^

Density

(calculated) 1.341 g/cm^

Polymorphism

This p-phase transforms above 180 °C to give an a-phase [De Camp, Brannon, and Maienthal,

1981]

.

Figure of merit

Fao = 47.0(0.013,49)

Intensities

The crystals were long needles which oriented

strongly, and the quantity was limited. Two

sets of intensities are presented here. The

first set was measured from only one experimental pattern and may be distorted by orientation. The 2nd set of I's was calculated

from the structure data of Himes et al. [1981]

At 26 = 24.37, a calculated peak of intensity

3 was not observed on the experimental pattern

References

De Camp, W. H. , Brannon, W. L., and Maienthal,

M. M. (1981). Manuscript in preparation.

Himes, V., Mighell, A., and De Camp, W. H. (1981). To be published in Acta Crystallogr.

B37.

CuKa X = 1 540598 A; temp. 25±1 °C

Internal standard Si, a = 5. 43088

oA

ODS

I obsI , caic hk£

obs

peaks

8.71 5 6 1 1 0 10. 15 6.94 37 11 u

n iz 4 6.77 89 93 -1 0 1 13 07

A AO lo Id 1 0 1 13 63

6.24 24 27 0 1 1 14 18

5.90 90 40 2 1 0 15 01

5.786 100 100 1 1

11 i J jU

5.604 54 13* 1 1 1 15 80

C -T 0 / 0 2 0 15 88

5.181 15 20 1 2 0 17 10

4.741 35 39 -2 1 1 18 70

4.549 63 41 0£. 1

11 ou

4.485 12 12 0 2 1 19 78

2 2 0 20 42

4.302 18 20 -1 2 1 20 63

4.039 5 7 -3 0 1 21 99

3.799 29 26 -'^i. 1 9Q

3.719 36 40 2 2 1 23 91

J . DyO Do 1 3 0 24 76

3.565M 61 53 0 1 2 24 96

3.565M 3 2 0 24 96

3.381 10 8 u 0i. zo 3.337 39 38 0 3 1 26 69

Q 077 7 2 3 0 27 19 3.259 75 47 -1 3 1 27 34

3.234 73 58 -2 1 2 27 56

3.122 IL 2 u z ZoOft J / 3.077 8 6 -1 2 2 29 00

o . UJj 0

QO -2 3 1 29 41

2.988 2 5 4 1 1 29 88

2.953 IL - 4 2 0 30 24

2.900 5

- OJQ u O 1 2.893M 6 6 -3 1 2 30 88

-2 2 2 30 88

2.807 9 6 2 2 2 31 86

2.790M 16 15 0 4 0 32 06

2.790M -A z 1X

•30 jz UD 2.736M 2 3 -3 3 1 32 70

O "7 QAM 1 4 0 32 70

2.651 3 IL -5 0 1 33 79

2.641 5 4 -3 2 2 33 92

2.621 3 4 -4 0 34 18

2.566M- 7 7 5 0 1 34 94

2.566M 1 4 1 34 94

2.503M 1 1 -2 3 2 35 85

2.503M 5 1 1 35 85

2.394M 3 3 -5 2 1 37 54

2.394M 1 1 3 37 54

*This intensity is reported as integrated rather than peak height, which lacked resolution.

24
Cerium Niobium Oxide, CeNb04

Synonym

Cerium niobate

CAS registry no. 12014-72-1

Sample

The sample was prepared at NBS by heating

CeOg and NbgOj at 1000 "C for 21 hours, at 1500 °C for 21 hours, and at 800 "C for 4

days under a high vacuum.

Color

Medium bright green

Structure

Monoclinic, I2/a (15), Z = 4. The structure

of CeNb04 has been determined using neutron

powder diffraction by Santoro et al. [1980].

This phase had earlier been reported to be in

space group Ia(5) by Komkov [1959]. CeNb04

is isostructural with other rare earth niobates

and tantalates [Roth et al., 1977]. The

structure is a distorted scheelite type called

beta-fergusonite- (Ce) or brocenite [Kuo et al.,

1975]

.

Lattice constants of this sample

a = 5.5403(7) A

b =11.4087(14)

c = 5.1631(7)

P = 94.602(13)°

a/b = 0.4856

c/b = 0.4526

Volume o 325.30 A^

Density

(calculated) 6.065 g/cm^

Polymorphism

When heated to about 580 °C, CeNb04 undergoes

a readily reversible phase change to a tetragonal structure of the fergusonite type, very

similar to scheelite, CaW04 [Gingerich and

Bair, 1963].

Figure of merit

F30 = 75.8(0.010,40)

Additional patterns

PDF card 23-1047 [McCarthy, G. , Pennsylvania

State University, University Park, PA]

PDF card 29-402 [Kuo et al., 1973]

References

Gingerich, K. A. and Bair, H. E. (1963).

Advan. X-Ray Anal. 7, 22.

Komkov, A. I. (1959). Sov. Phys . Crystallogr.

4, 796.

Kuo, C, Wang, I., Wang, H. , Wang, C, and

Hou, H. (1973). Ti Chiu Hua Hsueh (Geochimica

Peking) 2, 86.

Roth, R. S., Negas, T. , Parker, H. S.,

Minor, D. B., and Jones, C. (1977). Mat. Res. Bull. 12, 1173.

Santoro , A . , Marezio, M. Roth, R. S. , and Minor, D. (1980). J Solid State

Chem. 35, 167.

CuKa k = 1.540598

0A; temp

.

25±1 °C

Internal standard Ag, a — . 08651 A

d(A)

jrel

hkil 2e(°) a = ±2

5.705 3 0 z

A

u 15 52

4.973 1 1 1 A

i / R9oZ 4.697 7 0

11 1

1loft 00ftft 3.233 100 -1 2 1 Z / J / 3.133 7 1 3 0 Zo A7

3.059M 97 0 J 1 29 17 3.059M 1 z 1 Z? 1 7 2.852 31 0

AH u J i jH- ^A

2.761 18 2 0 0 jZ An 2.574 15 0 0 2 0J

2.462 IL -2 1

11 36 47

2.357 5 -1 1 0z JO 1

J

2.346 4 0

0 0

£. '^ft jH•^A 2 . 308M 5 -1 4 1 JO QQ

2.308M 2 1 1 JO QQ

2.242 6 1 40 19 2.0861 8 0

cJ 1 tJ jt"^A 2.0343 14 -1 0J

9 jU

2.0019 IL 2 3 1 tj ZO

1.9841 27 2 4 0 Hj /^Q oy

1.9622 17 -2 A

U

0£. 46 23

1 . 9455 3 1 0Z HO 0J 1.9111 20 0 if Z JH- RA 1.9017 3 0 6 0

A 7 7Q/y

1.8557 1 -2 2 2 AQ UJ

1.8112 12 2 A

U z 50 34

1.7264 1 2 z z 53 00

1.7114 16 -1 1 53 50

1 . 6982 17 -3 2 1 53 95

1.6840 11 1 6 1 54 44

1.6568M 1 3 3 0 55 41 1.6568M -1 5 2 55 41

1.6392 2 2 5 1 56 06

1.6214 15 3 2 1 56 73

1.6169 16 -2 4 2 56 90

1.6087 11 -1 2 3 57 22

1.5633M 5 0 3 3 59 04

1.5633M 1 7 0 59 04

1.5429M 9 -3 1 2 59 90

1.5429M 1 2 3 59 90

25
Cerium Niobium Oxide, CeNb04 - (continued)

f

o d(A) a = ±2

2e(°)

1 * J ^7 ILl g n u

0i. 60 50

X . 111 0 4 9 60 50

11 . juyu snQO 1 u 11 IL -2 ;[ 61 . 82

1.4452 1 -1 4 3 64.42

1 . 4416 IL -3 3 2 64.60

1 . 4321 6 3 \ 2 65 . 08

1 .4259 •5 0 8 0 65 . 40

1 . 3806 3 4 0 0 67 . 83

1.3708 1 0 5 3 68.38

1 . 3494M 2 -1 7 2 69 . 62

1 . 3494M 3 3 2 69 . 62

1 ^/.n6M 9 -2 8 2 70 14

1 . 3406M 2 7 \ 70 . 14 1.3228 1 1 7 2 71.23

1 .2992M 3 -3 6 1 72.73

1.2992M 4 1 1 72.73

1.2870 4 0 0 4 73.53

1.2669 5 2 8 0 74.89

1.2635 5 3 6 1 75.13

26
Cerium Tantalum Oxide, CeTa04

Synonym

Cerium tantalate

CAS registry no. 12343-76-9

Sample

A 2:1 mixture of Ce02 and Ta205 was heated at 1000 °C for 21^ hours, next at 1400 °C for 2 hours, then at 1500 "C for 17 hours. It was cooled and sealed in an evacuated glass tube.

It was heated again at 800 °C for 6 days at

a total pressure equal to or less than 2x10"^

Torr.

Color

Light olive

Structure

Monoclinic, P2i/a (14), Z = 4, with laTa04-

type structure. The structure was refined

by Santoro et al. [1980]. Neutron powder

diffraction techniques were used.

Lattice constants of this sample

a = 7.7654(5)A

b = 5.5294(4)

c = 7.6230(6)

P = 100.865(7)°

a/b = 1.4044

c/b = 1.3786

Volume o 321.45A3

Density

(calculated) 7.957 g/cm^

Polymorphism

A monoclinic to orthorhombic phase transition

was observed at 820 °C in vacuum [Cava et al.,

1978].

Figure of merit

Fao = 82.4(0.007,53)

Additional pattern

PDF card 23-148 [Bodiot, 1968]

References

Bodiot, D. (1968). Rev. Chim. Miner. 5, 569.

Cava, R. J., Negas, T., Roth, R. S., Parker,

H. S., Minor, D. B. , and Olson, C. D. (1978). In The Rare Earths in Modern Science and

Technology (Plenum Publishing Corp. New York,

NY), p. 181.

Santoro, A., Marezio, M. , Roth, R. S., and

Minor, D. (1980). J. Solid State Chem. 35,

167.

o CuKOj \ = 1.540598 A; temp. 25±1 "C

Interna] standard Ag, a = 4 08651 A

o d(A) jrel 26(°) a = ±4

7.500 IL 0 0 1 i 1 7Q

4.478 5 1 1 0 19 81

4.447 8 0 1 1 19 95

3.813 13 2 0 0 23 31

3.742 20 0

o

c. 23 76

3.690 10 -2 0 1 1 u 3.138 81 2 1 0 28 42

3.100 100 0 1 2 28 78

3.070 42 -2 1 1 29 06

2.966 10 -2 0£. 30 11

2.764 35 0 2 0 2.747 15 2 1 1 32 57

2.613 19 -2 1 2 34 29

2.4513 12 2 0 2 36 63

2.3219 3 -3 11

11 38 75

2.2957 8 -2 0 3 9

1

2.2746 1 0 1 3 39 59

2.2388M 4 2 1 2 40 25

2.2388M 2 2 0 40 25 . 2.2240 9 0

o 40 53

2.2130 3 -2 2 1 2.2026 IL -1 2 2 40 94

2.0815 7 2 2 1 43 44

2.0223 12 -2 2 2 44 78

1.9368 21 -4 J. 46 87

1.9279 5 2 0 3 *+ / 1.9073 2 4 0 0 47 64

1.8715M 7 0 0 4 48 61

1.8715M 3 2 0 48 61

1.8525 2 0

o OJ 49 14

1.8459 2 -4 0 2 AO ^•^ JJ 1.8337 20 2 2 2 49 68

1.8213M 8 -2 0 4 50 04

1.8213M 2 1 3 50 04

1.8025 4 4 1 u 50 60

1.7912 2 1 3 0 50 94

1.7724 18 0 1 4 51 52

1.7679M 17 4 0 1 51 66

1.7679M -2 2 3 51 66

1.7303 IL -2 1 4 52 87

1.6852 11 4 1 1 54 40

1.6755 3 -4 0 3 54 74

1.6593 11 2 3 0 55 32

1.6541 16 0 3 2 55 51

1.6495 11 -2 3 1 55 68

27
Cerium Tantalum Oxide, CeTa04 - (continued)

o <H,A)

rel

i

rr -~ 4-/,

201, J

L 1.6443 5 -1 3 2 55.87

1.6028 14 -4 1 3 57.45

1.5926 13 2 3 1 57.85

1.5861 9 -4 2 1 58.11

QO 0 i. DO . ZD

1.5824M 2 2 3 58.26

1.5655 9 -2 3 2 58.95

1.5500 3 0 2 4 59.60

1.5346 2 -4 2 2 60.26

1 ^ 0 1 1 M 7 1 Z oU . oj

1.5211M -2 2 4 60.85

1.5077 6 2 1 4 61.45

1.4919M 2 -2 0 5 62.17

1.4919M 3 3 0 62.17

1 / Q n 0 J

OZ11 OZ . ZD

1.4414M 3 -2 1 5 64.61

1.4414M -3 3 2 64.61

1.4331M 2 3 3 1 65.03

1.4331M -4 2 3 65.03

11 . An^A fUDO IT J z

O OO . H i

1.3936 1 4 0 3 67.11

1.3822 3 0 4 0 61.

1.3734 1 4 2 2 68.23

1.3631 2 2 2 4 68.82

1 * JOU

1

z 1 AU

Afl OO . QOyy

1.3511 4 4 1 3 69.52

1.3250 IL 4 3 0 71.09

1.3134M 5 -2 2 5 71.82

1.3134M 0 3 4 71.82

1 0A07 £. -A A

U

CJ 70/ Z . DU

1.2996 2 2 4 0 72.70

1.2967 2 0 4 2 72.89

1.2947 2 -2 4 1 73.02

1.2764M 4 2 1 5 74.24

1 0 7 A /i M 11 7 /. 0 /. I H , ZH

1.2677M 4 -4 1 5 74.84

1.2677M -5 2 3 74.84

1.2599 5 -6 1 1 75.38

1.2530 1 -2 4 2 75.87

1 O /. "7 7 nU

Au D 7A OR /O . ZD

1.2447 4 4 2 3 1.2394 4 -4 3 3 76.85

1.2301 IL -6 0 3 1.2267 3 -2 1. 6 77.80

1.2160M 1 -3 4 1 78.61

1.2160M 6 0 1 78.61

1.2039 2 2 4 2 79.56

1.2009M 3 -6 1 3 79.80

1.2009M 4 3 2 79.80

1.1942 1 2 3 4 80.34
Cesium Magnesium Titanium Oxide, Csi.45Mgo.724Ti7.270i6

Synonym

Cesium magnesium titanate .

Sample

The sample was prepared at NBS by mixing

stoichiometric proportions of cesium,

magnesium, and titanium oxides. The mixture

was heated at 750 °C for 18 hours, then re- heated with periodic grindings at 1200 °C for

5 hours. Finally, it was heated at 1200 "C

in a sealed platinum tube for 5 days.

Color

Pale yellow

Structure

Tetragonal, I4/m (87), Z = 1. Roth [1981]

determined by analogy that this compound is

of the hollandite type structure. The

structure of the related hollandite type

phases was determined by Sinclair et al.

[1980]

.

Lattice constants of this sample

a = 10.2818(4) A

c = 2.9717(3)

c/a = 0.2890

Volume o 314.15

Density

(calculated) 4.305 g/cm^

Figure of merit

F30 = 84.4(0.010,35)

M20 = 128.4

References

Roth, R. S. (1981) private communication.

Sinclair, W. , McLaughlin, G. M. , and

Ringwood, A. E. (1980). Acta Crystallogr.

B36 , 2913.

0 CuKa^ \ = 1.540598 A; temp

.

25±1 °C

Interna] standard Ag, a = 4

0 08651 A

0 d(A) jrel UKX 2e(°) a = ±1

7.27 1 1 1 0 12. 17 5.148 2 2 0 0 17.21

3.636 27 2 2 0 24.46

3.254 100 3 1 0 27.39

2.856 3 1 u 1 31.30

2.570 2 4 0 0 34.88

2.497 18 2 1 1 35.94

2.299 25 4 2 0 39. 15 2.246 19 3 0 1 40.12

2.0567 5 3 Z i 43.99

2.0163 11 5 1 0 44.92

1.9107 15 4 1 1 47.55

1.8179 6 4 4 0 50.14

1.7635 7 5 3 0 51.80

1.7135 22 6

nu 53.43

1 .6912 2 4 3 1 54. 19 1.6261 2 6 2 0 56.55

1.6061 21 5 2 1 57.32

1.4857 2 0 0 2 62.46

1.4692 4 6 J. 11 63.24

1 .4559 2 1 1 2 63.89

1.4540 3 5 5 0 63.98

1.4270 2 2 0 2 65.34

1.4124 16 5 4 1 66.10

1.3624 2 6 J 1 68.86

1 .3502 12 7 3 0 69.57

1.3172 1 7 0 1 71.58

1.2865 2 4 0 2 73.56

1.2754 2 7 2 1 74.31

1.2667 1 3 z 74.91

1.2467 2 8 2 0 76.32

1.2115 6 6 6 0 78.96

1.2038 IL 6 5 1 79.57

1.1963 IL 5 1 2 80. 17 1.1950 3 7

CJ AU 80.27

1. 1719 3 7 4 1 82.19

1.1495 2 8 4 0 84.15

1.1353 7 9 1 0 85.45

1.1226 3 6 0 2 86.66

1.1155 1 8 1 87.35

1 .0969 1 6 2 2 89.22

1.0837 1 9 3 0 90.60

1.0664 1 9 0 1 92.50

1.0440 4 7 6 1 95.09

1.0392 1 5 5 2 95.68

1.0289 2 6 4 2 96.95

1.0283 2 8 6 0 97.02

29
Chromium Boride, CrsBa

CAS registry no. 12007-38-4

Sample

The sample was obtained from Cerac, Inc.,

Menomonee Falls, WI. It contained about

15% CrB as a second phase which did not

interfere with the measurements.

Color

Dark gray

Structure

Tetragonal, 14/mcm (140), Z = 4. The

structure was determined by Bertaut and

Blum [1953]

.

Lattice constants of this sample

a = 5.4735(5) A

c = 10.1156(15)

c/a - 1.8481

Volume o 303.06 A^

Density

(calculated) 6.409 g/cm^

Figure of merit

F25 = 53.5(0.012,38)

Additional pattern

Kuz'ma et al. [1969]

References

Bertaut, F. and Blum, P. (1953). C. R. Acad.

Sci. 236, 1055.

Kuz'ma, Yu. B., Telegus, V. S., and Kovalyk,

D. A. (1969). Porosh Met. 5, 79.

0 d(A) ,rel

I 0 = ±4

hk£ 20(°)

1.7306 30 3 1 0 52.86

1.6858 10 0 0 6 54.38

1.6378 3 3 1 2 56.11

1.5597 2 2 1 5 59.19

1.4352 1 2 0 6 64.92

1.3162 11 4 1 1 71.64

1.2901 4 3 3 0 73.32

1.2714 3 2 2 6 74.58

1.2643 2 0 0 8 75.07

1.2498 3 3 3 2 76.10

1.2445 13 2 1 7 76.48

1.2354 12 4 1 3 77.15

1.2237 3 4 2 0 78.02

1.2078 10 3 1 6 79.25

1.1491 11 3 3 4 84.19

0 CuKa^ \ = 1.540598 A; temp

.

25±1 °C

Internal standard Si, a = 5 43088 A

d(A) jrel hk£ 2e(°) a = ±4

3.073 21 1 1 2 29.03

2.739 9 2 0 0 32.67

2.528 14 0 0 4 35.48

2.409 29 2 0 2 37.30

2.380 55 2 1 1 37.76

2.117 23 1 1 4 42.68

1.9808 100 2 1 3 45.77

1.9341 15 2 2 0 46.94

1.8572 39 2 0 4 49.01

1.8085 1 2 2 2 50.42

30
Cobalt Fluoride, C0F2

Synonym

Cobalt difluoride

CAS registry no. 10026-17-2

Sample

The sample obtained from the Apache Chemical

Co., Seward, IL was heated at 180 "C.

Color

Strong pink

Structure

Tetragonal, PAa/mnm (136), Z = 2, isostructural with Ti02, rutile. The structure

was determined by Stout and Reed [1954] and

refined by Baur [1958].

Lattice constants of this sample

a = 4.7106(3) A

c = 3.1691(5)

c/a = 0.6728

Volume o 70.322 A^

Density

(calculated) 4.578 g/cm^

Figure of merit

Fi9 = 84.6(0.010,22)

0 CuKa^ X = 1.540598 A; temp

.

25±1 °C

Interna] standard Ag, a — /. 08651 A

d(A) jrel hk£ 2e(°)

0 = ±3

3.332 100 1 1 nU 26.73

2.631 50 1 A\J X 34.05

2.355 7 2 U Au 38. 18

2.297 24 1 1 1 39. 19

2. 1069 6 2 1 0 42.89

1.7547 56 2 1

11 52.08

1 .6654 17 2 9 nu 55.10

1 .5844 9 0 n\j 0 58. 18

1 .4894 6 3 1 0 62.29

1 .4307 14 1 1 2 65.15

1.4070 16 3 0 66.39

1 . 3484 \ 5 1 X 69.68

1 . 3148 2 2 0 2 71 . 73

1.2662 1 2 1 2 74.94

1.2082 4 3 2 1 79.22

1.1776 IL 4 0 0 81.71

1.1481 7 2 2 2 84.28

1.1101 3 3 3 0 87.88

1.0852 3 3 1 2 90.44

Additional pattern

PDF card 3-409 [The Dow Chemical Co.]

PDF card 24-329 [Swanson et al., 1972]

References

Baur, W. H. (1958). Acta Crystallogr. n,

488.

Stout, J. W. and Reed, A. (1954). J. Am. Chem. Soc. 76, 5279.

Swanson, H. E., McMurdie, H. F. , Morris,

M. C, Evans, E. H. , and Paretzkin, B. (1972). Natl. Bur. Stand. U.S. Monogr. 25,

Sec. 10, 85.

31
Cobalt Phosphide, C02P

CAS registry no. 12134-02-0

Sample

The sample was obtained from ICN-KSJC Laboratories, Plainview, NY. It contained a few

percent of Co3(P04)2 which did not interfere

with measurements.

Color

Black

Structure

Orthorhombic , Pnam (62), Z = 4, isostructural

with Co2Si. The structure was determined by

Nowotny [1947]. It was refined by Rundqvist

[1960] who stated that there is an extended

homogeneity range at elevated temperatures;

the widening of the range is apparently

connected with random vacancies in the metal

atom sites.

Lattice constants of this sample

a = 5.6465(8) A

b = 6.6099(10)

c = 3.5130(7)

a/b = 0.8542

c/b = 0.5315

Volume o 131.11 A^

Density

(calculated) 7.540 g/cm^

Figure of merit

F30 = 48.8(0.013,46)

Additional pattern

PDF card 6-0595 [Nowotny, 1947]

References

Nowotny, H. (1947). Z. Anorg. Allg. Chem.

254, 31.

Rundqvist, S. (1960). Acta Chem. Scand.

14, 1961.

0 - 1.340398 A; temp. 25±1 °C

Internal standard W, a 3.16524 A

0 d(A) jrel

2e(° a = ±2

3 . 309 3 0 2 0 26.92

3 1 2 0 31.32

0 0 0 £ Z . OZD 4 2 0 0 31.64

2 . 719 0 1 1 1 32.92

2.214 100 1 2 1 40.73

2 . 201 69 2 0 1 40.97

2 . 147 11 2 2 0 42.06

2 . 088 71 2 1 1 43.30

2 . 053 0 0 33 1 3 0 44.08

1.8675 26 0

•5 1 48.72

08 2 2 1 49.71

1 . OIO2 23 3 0 50.37

1 . 7715 1 A19 1 3 1 51.55

OA29 A

0 2 52.03

1.7370 11 2 0 52.65

1 . 6524 08 0 4 0 55.57

1 .6354 17 3 2 0 56.20

1 AA / 1 . OO94 4 3 1 1 57 . 19

1 c 0 r ^

1 .5856 A2 1 4 0 58. 13

1.5573 6 2 3 1 59.29

1 / 0 A A

1 . 4309 2 3 3 0 65.14

1 . 3802 1 4 0 67.85

1 . 3596 1 A2 2 2 69 .02

1 00/0 1 . 3342 7 1 3 2 70 .53 1.2981 4 4 2 0 72.80

1 . 2867 2 1 0 73.55

1 . 2844 3 4 1 73.70

1 . 2605 6 3 1 2 75.34

1 . 2371 5

A

0 5 1 77 .02 1.2350 7 2 2 77 . 18

1 . 2181 IL 4 2 1 78.45

1 . 1969M 9 2 0 80.12

1 . 1969M 3 2 2 80 . 12

1 . 1708 t'0 3 4 1 82.28

1.1336 1 2 5 1 85.61

1 . 0833 4 1 2 3 90.64

1.0816+ 6 3 5 0 90.83

1.0816+ 2 0 3 90.83

1.0611 7 5 1 1 93.09

1.0339M 6 0 3 3 96.33

1.0339M 3 5 1 96.33

32
Copper Chloride Hydrate (Eriochalcite) , CuCl2*2H20

Synonym

Cupric chloride dihydrate

CAS registry no. 13933-17-0

Sample

The sample was obtained from the Fisher

Scientific Co., Fair Lawn, NJ. The sample

was somewhat hygroscopic.

Color

Brilliant bluish green

Structure

Orthorhombic , Pbmn (53), Z = 2. The structure was determined by Barker [1936] and

refined by Engberg [1970].

Lattice constants of this sample

a = 7.4164(6) A

b = 8.0926(6)

c = 3.7494(4)

a/b = 0.9164

c/b = 0.4633

Volume o 225.03 a3

Density

(calculated) 2.516 g/cm^

Figure of merit

Fao = 87.6(0.009,37)

Additional pattern

PDF card 13-145 [Inst, of Physics, Univ.

College, Cardiff, Wales]

References

Engberg, A. (1970). Acta Chem. Scand., 24,

3510.

Barker, D. (1936). Z. Kristallogr. Kristallgeometrie Kristallphys . Kristallchem. A93, 136.

CuKa A, = 1.540598 A; temp. 25±1 °C

1 o Internal standard W, a — 3. 16524 A

d(A) jrel

hkSL 2e('') o = ±4

5.467 100 1 1 0 16.20

4.050 56 0 2 0 21.93

3.750 11 0 0 1 23.71

3.708 6 2 0 0 23.98

3.346 21 1 0 1 26.62

3.093 40 1 1 1 28.84

2.734 14 2 2 0 32.73

2.638 82 2 0 1 33.96

2.578 18 1 2 1 34.77

2.534 17 1 3 0 35.39

2.365 9 3 1 0 38.02

2.2088 29 2 2 1 40.82

2. 1004 13 1 3 1 43.03

2.0639 5 3 0 1 43.83

2.0240 22 0 4 0 44.74

2.0007 17 3 1 1 45.29

1 .8744 5 0 0 2 48.53

1 .8543 14 4 0 0 49.09

1 .8389 5 3 2 1 49.53

1.8220 6 3 3 0 50.02

1 . 7808 4 0 4 1 51.26

1.7740 9 1 1 2 51.47

1.7312 5 1 4 1 52.84

1.7005 2 0 2 2 53.87

1.6860 9 4 2 0 54.37

1.6730 5 2 0 2 54.83

1.6624 3 4 0 1 55.21

1 .6579 6 1 2 2 55.37

1 .6389M 6 3 3 1 56.07

1.6389M 2 1 2 56.07

1.6048 23 2 4 1 57.37

1.5817 5 1 5 0 58.29

1 .5070 3 1 3 2 61.48

1 .4939 3 3 0 2 62.08

1.4686 3 3 1 2 63.27

1 .4587 8 5 1 0 63.75

1.4569 4 1 5 1 63.84

1 . 4452 5 3 4 1 64.42

1.4015 6 3 2 2 66.68

1.3671 7 4 4 0 68.59

1 . 3600 3 5 1 1 69.00

1.3538 2 3 5 0 69.36

33
Iodoform, CHI3

Synonym

Triiodomethane

CAS registry no. 75-47-8

Sample

The sample was obtained from Merck and Co., Inc . , Rahway , NJ

.

Color

Brilliant yellow

Structure

Hexagonal, P63 (173), Z = 2. The structure

was determined by Huggins and Noble [1931].

lattice constants of this sample

a = 6.8195(5) A

c = 7.565(1)

c/a = 1.1093

Volume o 304.68 A^

Density

(calculated) 4.292 g/cm^

Figure of merit

F30 = 62.4(0.011,44)

Additional pattern

PDF card 2-329 [Crystallographic Laboratory,

Cambridge, England]

Reference

Huggins, M. L. and Noble, B. A. (1931). Am. Mineral. 16, 519.

0 d(A) _rel

I a = ±3hk£ 28('')

1.6535 3 1 1 4 55.53

1.6381 2 3 1 0 56.10

1.6010 3 3 1 1 57.52

1.5540 2 2 2 2 59.43

1.5033 3 3 1 2 61.65

1.4492 2 4 0 1 64.22

1.4431 2 2 1 4 64.52

1.4122 2 2 2 3 66.11

1.3831 3 1 1 5 67.69

1.3734 2 3 1 3 68.23

1.3636 3 3 0 4 68.79

1.3550 1 3 2 0 69.29

1 . 3467 IL 2 0 5 69.78

1.3338 2 3 2 1 70.55

1.2888 IL 4 1 0 73.41

1.2755 1 3 2 2 74.30

1.2744 1 4 0 3 74.38

1.2707 3 4 1 1 74.63

1.2606 IL 0 0 6 75.33

1.2382 IL 3 1 4 76.94

1.2201 1 4 1 2 78.30

0 CuKa^ X = 1 540598 A; temp

.

25+1 "C

Internal standard W, a = 3. 16524 A

d(A) jrel 2e(°) a = ±3

4.650 11 1 0 1 19.07

3.781 39 0 0 2 23.51

3.409 18 1 1 0 26.12

3.107 100 1 1 1 28.71

2.751 7 2 0 1 32.52

2.531 16 1 1 2 35.44

2.320 1 1 0 3 38.78

2.230 6 2 1 0 40.41

2.0270 22 1 1 3 44.67

1.9674 11 3 0 0 46.10

1.9222 7 2 1 2 47.25

1.8913 3 0 0 4 48.07

1 . 7456 12 3 0 2 52.37

1.7049 1 2 2 0 53.72

1.6629 9 2 2 1 55.19

34
Iron Boride, FeB

CAS registry no. 12006-84-7

Sample

The sample was obtained from Cooper Metallurgical Associates, Cleveland, OH.

Color

Unground, shiny metallic gray in chunks

Ground, olive gray

Structure

Orthorhombic, Pbnm (62), Z = 4. The

structure was determined by Bjurstrom

and Arnfelt 11929]

.

Lattice constants of this sample

a = 4.0587(3)A

b = 5.5032(5)

c = 2.9474(3)

a/b = 0.7375

c/b = 0.5336

Volume o 65.833 A3

Density

(calculated) 6.725 g/cm^

Figure of merit

F29 = 79.0(0.009,39)

Intensities

Owing to the difficulty of getting reproducible intensities, a comparison between

experimental intensities and those calculated on the basis of the structure given

in Pearson [1967] was made. In the

calculated pattern, the four strongest lines

were: 2.188(100), 1.904(67), 2.384(65),

2.011(65).

Additional pattern

PDF card 3-957 [Bjurstrom]

References

Bjurstrom, T. (1933). Ark. Kemi Mineral.

Geol. IIA .

Bjurstrom, T. and Arnfelt, H. (1929). Z. Phys. Chem. B4, 869.

Pearson, W. B. (1967). A Handbook of

Lattice Spacings and Structures of Metals

and Alloys , Vol. 2, (Pergamon Press Ltd.,

Oxford, England) p. 409.

0 CuKUj \ = 1 540598 A; temp . 25±1 °C

Internal standard W, a = 3 . 16524

0A

0 d(A) jrel hk£ 29(°)

a = ±4

3.269 16 1 1 0 27.26

2. 752 32 0 2 0 32.51

2.384 50 1 0 1 37.71

2.2768 33 1 2 0 39.55

2. 1888 72 1 1 1 41.21

2.0116 0 2 1 45.03

1.9043 67 2 1 0 47.72

1.8018 28 1 2 1 50.62

1.6716 33 1 3 0 54.88

1.6335 5 2 2 0 56.27

1.5995 0 7 2 1 1 57.58

1.4736 22 0 0 2 63.03

1.4542 3 1 3 1 63.97

1.3435 3 1 1 2 69.97

1.3030 10 1 4 0 72.48

1.2993 0 2 2 72.72

1 . 2466 17 0 4 1 76.33

1.2374 16 1 2 2 77.00

1.2354 25 2 3 1 77.15

1.2297 8 3 0 1 77.57

1.2141 5 3 2 0 78.76

1.1999 12 3 1 1 79.88

1.1917 4 1 4 1 80.54

1.1653 22 2 1 2 82.76

1.1224 9 3 2 1 86.68

1.1054 9 1 3 2 88.35

1.0889 7 3 3 0 90.05

1.0621M 4 1 5 0 92.98

1.0621M 2 4 1 92.98

1.0147 6 4 0 0 98.78

35
Iron Fluoride, FeFs

Synonym

Ferric fluoride

CAS registry no. 7783-50-8

Sample

The sample was obtained from Alfa Products,

Thiokol/Ventron Division, Danvers, MA. It was dried at 140° for 2-3 hours.

Color

Pale yellow green

Structure

Hexagonal, R3c (167), Z = 6. The structure

was determined by Hepworth et al. [1957].

Lattice constants of this sample

a = 5.200(1) A

c = 13.323(2)

c/a = 2.5621

Volume o 311.94 A^

Density

(calculated) 3.604 g/cm^

Figure of merit

F21 = 65.3(0.013,25)

Additional pattern

PDF card 2-0327 [Ebert, 1931]

References

Ebert, F. (1931). Z. Anorg. Chem. 186, 398.

Hepworth, M. A., Jack, K. H. , Peacock, R. D.

,

and Westland, G. J. (1957). Acta Crystallogr.

10, 63.

0 CuKa^ \ = 1.540598 A; temp

.

25±1 °C

Internal standard Ag, a = 4.

0 08651 A

0 d(A) jrel

hkS. 2e('') a = ±1

3.731 100 0 I 2 23.83

2.678 15 1 0 4 33.43

2.602 7 1 1 0 34.44

2.244 14 1 1 3 40.15

2.133 2 2 0 2 42.34

1 .8664 21 0 2 4 48.75

1.6889M 21 1 1 6 54.27

1.6889M 2 1 1 54.27

1.6486 10 1 2 2 55.71

1.5619 3 0 1 00 59.10

1.5157 6 2 1 4 61 . 09

1.5011 5 3 0 0 61.75

1.4346 1 1 2 5 64.95

1.3386 5 2 0 8 70.26

1.2996 2 2 2 U 72.70

1.2861 1 1 1 9 73.59

1.2777 3 1 0 10 74.15

1.2690 1 2 1 7 74.75

1 . 2434M 2 3 0 6 76.56

1 . 2434M 1 3 1 76.56

1.2276 5 3 1 2 77.73

1.1902 2 1 2 8 80.66

1.1692 1 1 3 4 82.42

36
Iron Oxide (Hematite), a-FeaOa

CuKa k = 1.540598 A; temp. 25±1 °C

^ o Internal standard Ag, a = 4.08651 A

Synonyms

Iron sesquioxide

Diiron trioxide

Ferric oxide

CAS registry no. 1309-37-1

Sample

The sample was obtained from Pfizer, Inc.,

New York, NY. It was heated at 800 °C for

3 days.

Color

Dark reddish brown

Structure

Hexagonal, R3c (167), Z = 6. The structure

was determined by Pauling and Hendricks

(1925) and refined by Blake et al. (1966). It

is isostructural with a-Al203, corundum.

Lattice constants of this sample

a = 5.0356(1) A

c = 13.7489(7)

c/a = 2.7303

Volume o 301.93 A^

Density

(calculated) 5.270 g/cm^

Figure of merit

F30 = 67.6(0.011,40)

Polymorphism

Three other forms of this compound have

been reported. Delta-Fe203 crystallizes

in a hexagonal form. Maghemite, Y-Fe203

has been reported in both a cubic and a tetragonal form.

Reference intensity

I/I , = 2.60(1) corundum ^

'

Additional patterns

PDF card 13-534 [Aravindaksman and Ali,

Council of Sci. and Indust. Res., Central

Fuel Res. Inst., Binat, India]

PDF card 24-72 [Smith et al., Penn. State

U. , University Park, PA]

References

Blake, R. L., Hessevick, R. E., Zoltai, T.

,

and Finger, L. W. [1966]. Am. Mineral. 51,

123.

Pauling, L. and Hendricks, S. B. [1925].

J. Amer. Chem. Soc. 47, 781.

d(A)

jrel

\J — —£.

hk£ 2e(°)

0 1 2 ?4 14

2.700 100 1 0 4 33.15

2.519 71 1 1 0 35.61

J 0 0 6 3Q 9R

2 . 207 22 \ \ •J 40 . 86

2 . 0779 3 2 0 2 43.52

1.8406 39 0 2 4 49.48

1.6941 47 1 1 6 54.09

1.6367 1 2 1 1 56 . 15 1.6033 5 1 2 2 57.43

1.5992 10 0 1 8 57.59

1.4859 30 2 1 4 62.45

1.4538 30 3 0 0 63.99

1 . 3497 3 2 0 8 69.60

1 . 3115 10 1 0 10 71.94

1.3064 6 1 1 9 72.26

1.2592 8 2 2 0 75.43

1.2276 4 3 0 6 77.73

1 .2141 2 2 2 3 78.76

1 . 1896 5 1 2 8 80.71

1 . 1632 5 0 2 10 82 . 94

1.1411 7 1 3 4 84.92

1.1035 7 2 2 6 88.54

1.0768 2 0 4 2 91.35

1 .0557 7 2 1 10 93. 71

1 .0428 IL 1 1 12 95 . 24

1.0393 3 4 0 4 95.66

.9892 4 3 1 8 102.29

.9715 IL 2 2 9 104.92

.9606 5 3 2 4 106.63

.9581 4 0 1 14 107 .03

.9516 5 4 1 0 108.09

.9318 2 4 1 3 111.51

.9206 2 0 4 8 113 . 60

. 9081 5 1 3 10 116 . 04

. 0 J7 J 0 \ J3 0 12 117 . 75 .8954 3 2 0 14 118.69

.8789 6 4 1 6 122.44

.8648 1 2 3 8 125.94

.8543 3 4 0 10 128.77

.8436 5 1 2 14 131.87

.8392 3 3 3 0 133.24

.8089 4 3 2 10 144.44

.8014 4 2 4 4 147.96

37
Iron Yttrium Oxide, FesYaOia

Synonyms

YIG, Yttrium iron garnet, Y3Fe2(Fe04)3

Diiron triyttrium trisferrate, Fe2Y3(Fe04)3

CAS registry no. 12063-56-8

Sample

The sample was obtained from Trans-Tech, Inc.,

Gaithersburg, MD.

Color

Medium olive

Structure

Cubic, Ia3d (230), Z = 8, garnet structure. The

structure was refined by Euler and Bruce [1965]

following earlier determinations [Geller and

Gilleo, 1957; Batt and Post, 1962].

Lattice constant of this sample

a = 12.3774(2) A

Volume o 1896.22 A^

Density

(calculated) 5.170 g/cm^

Polymorphism

Shimada et al. [1968] reported the existence

of a dense allotropic form.

Figure of merit

F30 = 88.4(0.010,35)

Reference intensity

I/I , = 4.12(13) corundum

Additional pattern

PDF card 27-977 [B. Greenberg (1966). Polytechnic Institute of New York, Brooklyn, NY]

References

Batt, A. and Post, B. (1962). Acta Crystallogr.

15, 1268.

Euler, F. and Bruce, J. A. (1965). Acta

Crystallogr. 19, 971.

Geller, S. and Gilleo, J. (1957). J. Phys

.

Chem. Solids 3, 30.

Shimada, M. , Kume, S., and Koizumi, M. (1968).

J. Amer. Ceram. Soc. 51, 713.

CuKa \ = 1.540598 A; temp. 25±1 °C

Internal standard Ag, a = 4. 08651 A

d(A) jrel hM 26(0)

0 = ±2

5.055 6 2 1 1 17.53

4.377 1 2 2 0 20.27

3.307 3 3 2 1 26.94

3.093 32 4 0 0 28.84

2.768 100 4 2 0 32.32

2.639 2 3 3 2 33.94

2.527 44 4 2 2 35 .50

2.428 4 4 3 1 37.00

2.259 10 5 2 1 39.87

2.188 2 4 4 0 41.23

2.0082 9 6 1 1

/ C -1-1 45 . 11

1 .8261 IL 6 3 1 49 . 90

1.7870 14 4 4 4 51.07

1.7171 36 6 4 0 53.31

1.6840 3 7 2 1 54.44

I He / / 1 .6544 42 6 4 2 55.50

1 .5718 1 7 3 2 58.69

1 .5469 14 8 0 0 59.73

1.5236 IL 7 4 1 60.74

1.5013 IL 8 2 0 61.74

1.4791 IL 6 5 3 62.77

1.4589 IL 8 2 2 63.74

1 .4382 IL 8 3 1 64.77

1.3840 8 8 4 0 67.64

1.3506 19 8 4 2 69.55

1.3345 1 9 2 1 70.51

1.3194 6 6 6 4 71 .44

1 .3047 IL 8 5 1 72.37

1.2764 2 9 3 2 74.24

1.2503 1 9 4 1 76.06

1.2255 IL 10 1 1 77.89

1.2138 2 10 2 0 78.78

1. 1801 2 10 3 1 81 .50 1.1492 22 10 4 0 84. 18 1.1395 IL 10 3 3 85.06

1.1300 12 10 4 2 85.95

1.1026 2 11 2 1 88.63

1.0940 10 8 8 0 89.52

1.0691 IL 11 3 2 92.19

1.0612 IL 10 6 0 93.08

1 0387 IL 9 6 5 95 74

1 0314 5 12 0 0 96 64

1 0242 IL 11 4 3 97 55

1 0173 5 12 2 0 98 43

1 0107 2 11 5 2 99 31

1 0039 10 12 2 2 100 22

9845 IL 11 6 1 102 96

9608 2 11 6 3 106 59

9383 IL 13 2 1 110 36

9330 5 12 4 4 111 31

38
Iron Yttrium Oxide, Fe5Y30i2 - (continued)

o rel

J.

cj = ±2

hkSL

.9277 IL 12 5 3 112.26

.9225 13 12 6 0 113.23

.9175 6 13 3 2 114.19

.9125 5 12 6 2 115.17

.8933 5 8 8 8 119.15

.8624 2 14 3 1 126.56

.8582 3 12 8 0 127.67

.8501 12 14 4 0 129.95

.8422 11 14 4 2 132.31

39
Lithium Iodide Hydrate, Lil-SHgO

Synonym

Lithium iodide trihydrate

d(A)

rel

I hkH 2e(°)

CAS registry no. a = ±5

7790-22-9

2 741 23 0 0 2 32 64

Sample 2 527 6 1 0 2 35 49

The sample was from ICN Pharmaceuticals 2 452 17 2 1 0 36 62

Inc. , Plainview, NY. It was marked "Lithium 2 238 39 2 1 1 40 27

Iodide Anhydrous." The material was hygro- 2 211 30 1 1 2 40 78

scopic and the intensities may be somewhat

in error. 2 164 14 3 0 0 41 71

2 093 17 2 0 2 43 18

Color 2 012 3 3 0 1 45 02

Light brown 1 872 13 2 2 0 48 61

1 827 15 2 1 2 49 86

Structure

Hexagonal, P63mc (186), Z = 2. The structure 1 7992 4 3 1 0 50 70

of Lil'SHgO was studied by Hendricks [1928] 1 7603 9 1 0 3 51 90

and discussed by West [1934], 1 7102 28 3 1 1 53 54

1 6985 9 3 0 2 53 94

..attice constants of this sample 1 5931 10 2 0 3 57 83

o a = 7.4907(11) A

c = 5.4859(11) 1

1 5552

C /. "7 /i 10

9

4

2

0212

59

jy

38

/ 1

c/a = 0.7323 1

1 50444661

5

7

3

2

1

1

2

3

61

63

60

39

i^olume o

1 4362 15 3 2 1 64 87

266.58 A^

1 4157 8 4 1 0 65 93

Density 1 3956 3 4 0 2 67 00

(calculated) 2.341 g/cm^

Figure of merit

F27 = 59.9(0.015,30)

Additional pattern

PDF card 1-0411 [Hanawalt et al., 1938]

References

Hanawalt, J. D. , Rinn, H. W. , and Frevel,

L. K. (1938). Ind. Eng. Chem. Anal. Ed.

10, 457.

Hendricks, S. B. (1928). Am. J. Sci. 15,

403.

West, C. D. (1934). Z. Kristallogr.

Kristallgeometrie Kristallphys . Kristallchem. 88, 198.

0 CuKa^ \ = 1.540598 A; temp. 25±1 °C

Internal standard Si, a = 5 43088 A

d(A) jrel

hkSL 2e(°) a = ±5

6.50 7 1 0 0 13.62

4.186 100 1 0 1 21.21

3.743 57 1 1 0 23.75

3.242 19 2 0 0 27.49

2.793 92 2 0 1 32.02

40
Magnesium Phosphate, a-Mg2P207

Synonym

Magnesium pyrophosphate

Sample

The sample was prepared at NBS. The com- position of a commercially available sample

of magnesium phosphate (mixed phases) was adjusted with additions of (NH4)H2P04. The

mixture was fused and resolidified to yield

single phase a-Mg2P207- After being ground,

the sample was annealed at 140 °C for 5 hours

and slowly cooled to room temperature.

Color

Colorless

Structure

Monoclinic, P2i/n (14), Z = 4. The structure

was determined by Calvo [1967].

Lattice constants of this sample

a = 8.9124(16) A

b = 8.290(2)

c = 6.9492(15)

P = 111.70(1)°

a/b = 1.0751

c/b = 0.8383

Volume o 477.05 A^

Density

(calculated) 3.099 g/cm^

Polymorphism

A high-temperature p-form exists and is also

monoclinic, with a and c roughly half as large as in the a-phase. The phase transformation was found to be reversible, and

both phases coexist from 59 to 63 °C [Calvo

et al. , 1967]

.

Figure of merit

F30 = 27.6(0.016,70)

Reference intensity

I/I , = 1.72(3) ' corundum ^ '

Additional pattern

PDF card 22-1152 [Swanson et al., 1971].

This pattern on the card and in the reference

both have substantial errors.

References

Calvo, C. (1967). Acta Crystallogr. 23, 289.

Calvo, C, Datars, W. R. , and Leung, J. S. (1967). J. Chem. Phys . 46, 796.

Swanson, H. E., McMurdie, H. F. , Morris,

M. C, Evans, E. H. , and Paretzkin, B. (1971). Natl. Bur. Stand. U.S. Monogr.

25, Sec. 9, 73.

0 CuKa^ K = 1.540598 A; temp

.

25±1 °C

Internal standard Ag, a = 4

0 08651 A

0 d(A) jrel 2e(°) a = ±1

6.37 2 -1 0 1 13.90

5.104 3 0 1 1 17.36

4.373 3 1 0 1 20.29

4.149 23 0 2 0 21.40

3.860 1 1 1

11 23.02

3.805 3 -2 1 1 23.36

3.710M 1 1 2 0 23.97

3.710M 2 1 0 23.97

3.492 3 0 2 1 25.49

3.181 6 -2 A

U Z 28.03

3 . 008M 100 0 1 2 29.68

3.008M 1 2 1 29.68

2.965M 44 -2 1 2 30. 12 2.965M -3 0 1 30.12

2.929 3 2

0 U 30.50

2.834 3 2 1 1 31.54

2.795 IL -3 1 1 32.00

2.664 1 -1 2 2 33.62

2.620M 4 1 3 0 34. 19

2 . 620M 3 1 Au 34. 19

2.534 7 -1 3 1 35.40

2.523 12 -2 2 2 35.55

2.411 6 -3 2 1 37.26

2.299M 1 2 3 0 39.16

2.299M 3 £. A

U 39.16

2.257 IL 1 2 2 39.91

2.149 4 -4 1 1 42.01

2.121 IL -3 0 3 42.60

2.099 13 0 3 2 43.06

2.071+ 6 -4 1 0z 43.67

2.071+ 4 0 0 43.67

2.053 3 -3 1 3 44.07

2. OHM 4 -1 2 3 45.04

2. OHM 1 4 0 45.04

1.980 IL 3 z

11 45.80

1 .973 IL 0 4 1 45.97

1.953 IL 3 3 0 46.46

1.932 IL 2 2 2 46.99

1.928 IL 1 3 2 47. 11 1.910 IL 0 2 3 47.57

1.907 IL -3 3 2 47.65

1.886 IL -3 2 3 48.21

1.873 6 1 4 1 48.57

1.869 6 1 1 3 48.68

1.851 8 4 2 0 49.17

41
Magnesium Phosphate, o(-Mg2P207 - (continued)

o ci(A) jrel

a = ±1

2e(°)

1 7 an 1 T

ill 1 A£.

1 770 9 J nu 1

11 lLf\(\ . / fOD 1 J

•i 1

i. > OH

1.7364M 1 -2 0 4 52.67

1 . 7364M -2 4 2 52.67

1 7'^'^'^ 1 T Q 1X ^5 77

1i . 7111 /Ill A -L 3

1 AQQ1M t.0 1

J. AH 1.6991M -3 4 1 53.92

1.6812 1 -3 3 3 54.54

1 ^^'^7QM 1 T

lij 11 A • O /

1 ^iS7QM •J *A n S*^ "^7

11 . fiiin+ OH X

1X A 0 1.6410+ 2 1 3 55.99

1.6373 1 -5 0 3 56.13

1 MUS J

i; 1X 0 56 61

1 . o^ i*t *A 0 0 n AH '^7 09

1 . 6056M 4 -5 1 3 57.34

1.6056M 0 5 1 57.34

11 . JOO '^RftQ

J

0 H n *A

1

1

1

1

1X-J "iR '^'i IT 0 0£. 5 J 7 . j^

1.5254 1 3 4 1 60.66

1.5222 2 -5 2 3 60.80

1 n 0 A 0 X . UH

1 lO'^'^M 0 At

0£. U X .

1 . toij

•

0 u0 69 61 1.4825+ -3 4 3 62.61

1.4751 2 0 5 2 62.96

1 .4697M 4 -2 3 4 63.22

1.4697M -2 5 2 63.22

1.4645 4 4 4 0 63.47

1.4546 IL 5 1 1 63.95

1.4333M IL 3 1 3 65.02

1.4333M -5 1 4 65.02
Manganese, p-Mn

CAS registry no. 7439-96-5

Sample

A sample of oc-Mn from Fisher Scientific Co.,

Fair Lawn, NJ, was heated to 1065 °C in vacuum and annealed for 3 hours. It contained a small amount of MnO.

Color

Olive gray

Structure

Cubic, P4i,332 (212 or 213), Z = 20. The

structure was determined by Westgren and

Phragmen [1925].

Lattice constant of this sample

a = 6.3116(3) A

Volume o 251.43 A^

Density

(calculated) 7.270 g/cm^

Polymorphism

There are also y- , and 6-Mn, the most

probable transition temperatures being

oc - p, 700 »C, P - Y, 1079 "C, and

Y ^ 6 1143 °C [Sully, 1955]

.

Figure of merit

F26 = 71.2(0.011,33)

Additional pattern

PDF card 1-1234 (Hanawalt, Rinn, and

Frevel, 1938]

References

Hanawalt, J. D., Rinn, H. W. , and Frevel,

L. K. (1938). Ind. Eng. Chem. Anal. Ed.

10, 457.

Sully, A. H. (1955). Manganese (Butterworth

Scientific Publications, London) p 127.

Westgren, A. and Phragmen, G. (1925). Z. Phys. 33, 777.

0 CuKa^ \ = 1.540598 A; temp. 25±1 °C

Interna] standard W, a 3 . 16524

0A

0 d(A)

j.rei hk£ 2e(°)

4.458 3 1 1 0 19.90

5 z 1 0 31.0/

0 C "7*7 c3 z 1 10/. 7n

2. . 231 7 z 2 0

/ A OA

"1 AA z 2 1 AO AC 4z . 93

1.9965 62 3 0 45.39

1 . yujy 27 3 1 1 47 . 73

T "7 c nn 3 2 0 52 . 20

1 £ 0 "7 0 y 3 2 1 54 . 33

1 com 1 0^ A / 0

1.4874 6 3 3 0 62.38

XL 0J 3 1 ^A OA OH . zy

1 At ^ K c3 2 0 £^ 1 c

1 . J / /D X 2 1

£iO AA 08 . 00

I . OHJ

/

0J 3 2 ^0 Q A

1.2880 3 4 2 2 73.46

L . zozo z 3 0

7 C OA /3 . ZO

X . ZO /

/

ZO c3 1 0

1 £^ no lb . yo

X . ZXHO 3

r3 1 1 7 0 70

1 1 70

1

X . X /ZX XD c3 2 0 00 17 oz . 1 /

1.1526 5 5 2 1 83.87

1.0824 2 5 3 0 90.74

1.0668 5 5 3 1 92.45

1.0518 8 4 4 2 94.17

1.0377 4 6 1 0 95.86

1.0237 3 6 1 1 97.61

43
Molybdenum Oxide, M0O2

Synonym

Molybdenum dioxide

CAS registry no. 18868-43-4

Sample

The sample was made at NBS by H. S. Parker

by heating M0O3 in a Mo boat for 20 hours

at 372 °C in an atmosphere of 95% N2 and

5% H2 gases. This was followed by heating

at 590 °C for 90 hours under the same conditions

.

Color

Black

Structure

Monoclinic, P2i/n (14), Z = 4. Distorted

rutile structure. The structure of M0O2

was studied by Magneli et al. [1952] and

by Magneli and Andersson [1955]. The

structure was refined by Brandt and

Skapski [1967]. The latter gave the

structure using the P2i/c form of the

space group.

Lattice constants of this sample

a = 5.6068(7) A

b = 4.8595(9)

c = 5.5373(9)

P = 119.37°

a/b = 1.1538

c/b = 1.1395

Volume o 131.48 A3

Density

(calculated) 6.463 g/cm^

Figure of merit

F30 = 25.5(0.017,68)

Additional patterns

PDF card 5-452 [Magneli et al., Univ. of

Uppasla, Sweden]

Magneli et al. [1952]

Brandt and Skapski [1967]

References

Brandt, B. G. and Skapski, A. C. (1967).

Acta Chem. Scand. 21, 661.

Magneli, A. and Andersson, G. (1955). Acta

Chem. Scand. 9, 1378.

Magneli, A., Andersson, G. , Blomberg, B.,

and Kihlborg, L. (1952). Anal. Chem., 24,

1998.

0 CuKcij k = 1.540598 A; temp. 25±1 °C

Internal standard Si, a = 5

0 43088 A

0 d(A)

rel

I hk£ 2e(°)

CT = ±6

4.805 2 -1 0 1 18.45

3.420M 100 0 1 1 26.03

3.420M -1 1 1 26.03

2.813 4 1 0 1 31.78

2.442 28 2 0

A

0 36.78

2.437 32 1 1 1 36.86

2.426 69 -2 1 1 37.03

2.403 34 -2 0 2 37.40

2.181 6 2 1 0 41.36

2.171M 2 0 2 1 41.57

2.171M -1 2 1 41.57

2. 156 5 -2 1 2 41.87

1.841 11 -3 0 1 49.48

1.725 28 2 1 1 53.04

1.723 34 2 2 0 53. 11

1 .711 41 -3 1 2 53.52

1.709 33 -2 2 2 53.58

1.6976 22 -2 1 3 53.97

1.6033 1 -3 0 3 57.43

1.5443 7 3 1 0 59.84

1.5360M 13 0 3 1 60.20

1 .5360M -1 3 1 60.20

1.5272 9 0 1 3 60.58

1.4676 4 -3 2 1 63.32

1.4057 4 2 0 2 66.46

1.4019M 21 -2 3 1 66.66

1.4019M -4 0 2 66.66

1.3845 5 -2 0 4 67.61

1.3548 2 3 0 1 69 .30

1 . 3448M 1 0 3 2 69 .89

1.3448M 1 0 3 69.89

1 .3381 1 -3 2 3 70.29

1.3033 5 -4 1 1 72.46

1.2912 5 -4 1 3 73.25

1.2829 IL -3 1 4 73.80

1.2219 7 4 0 0 78.16

1 .2175M 10 2 3 1 78.50

1.2175M 2 2 2 78.50

1.2146M 6 0 4 0 78.72

1 .2146M 1 i 0 78. 72

1 . 20 /O 7 -2 3 3 79.27

1.2028M 4 -2 2 4 79.65

1.2028M -4 0 4 79.65

1.1837 2 3 2 1 81.20

1.1764 1 1 2 3 81.81

44
Molybdenum Oxide, M0O2 - (continued)

0 d(A) I a = ±6

hkS, 2e(°)

1 . 1485 2 3 3 0 84. 24

1.1414 4 0 3 3 84.89

1.1155 IL 1 4 1 87.35

1.1113 2 -5 0 3 87.76

1.0911 6 4 2 0 89.82

1.0879M 10 2 4 0 90.16

1.0879M -5 1 2 90.16

1.0849 8 0 4 2 90.47

1.0807 4 0 2 4 90.92

1.0780 8 -4 2 4 91.22
Neodymium Tantalum

Synonyrn

Neodymium tantalate

CAS registry no. 12344-26-4

Sample

The sample was prepared at NBS by heating

NdgOg and TagOg overnight at 1000 °C,

grinding and reheating at 1600 °C for a period of 16-20 hours, and quenched.

Color

Very pale violet

Structure

Monoclinic, I2/a (15), Z = 4. The structure

of NdTa04 has been determined using neutron

powder diffraction by Santoro et al. [1980].

This phase was earlier reported to be in

space group Ia(5) by Komkov [1959]. NdTa04

is isostructural with other rare earth niobates

and tantalates [Roth et al., 1977]. The

structure type is a distorted scheelite called

beta-fergusonite (Ce) or brocenite. [Kuo et al. , 1975]

.

Lattice constants of this sample

a = 5.5136(7)A

b = 11.2356(8)

c = 5.1151(5)

p = 95.717(11)°

a/b = 0.4907

c/a = 0.4553

Volume o 315.30 A^

Density

(calculated) 8.199 g/cm^

Po lymo rphi sm When heated to about 1320 °C NdTa04 undergoes

a readily reversible phase change to a tetragonal structure of the fergusonite type,

very similar to scheelite, CaW04 [Stubican,

1964]

.

Figure of Merit

F30 = 101.2(0.007,41)

Additional pattern

PDF card 16-745 [Stubican, 1964]

References

Komkov, A. I. (1959). Sov. Phys . Crystallogr.

4, 796.

Kuo, C, Wang, I., Wang, H. , Wang, C, and Hou,

H. (1973). Ti Chiu Hua Hsueh (Geochemica

Peking) 2, 86.

Roth, R. S., Negas, T., Parker, H. S., Minor,

D. B., and Jones, C. (1977). Mat. Res. Bull.

12, 1173.

ide, NdTa04

Santoro

,

A. , Marezio, M., Roth R. S.,

and Minor, D. B. (1980). J. Solid State

Chem. 35 167.

Stubican V. S. (1964) J. Amer. Ceram.

Soc. 47, 55.

CuKa \ = 1.540598

0A; temp

.

25±1 °C

Internal standard Si, a = 5

0

d(A) jrel hkA 26(0)

fT — +A

J

^ - D 1!?Q O u 2 0 m 7fi 4.930 8 1 1 0 17.98

3.221 100 -1 2 1 27.67

HQ J

11 3 0 ^0 . OH

J . uuo ftft 00 11 2 1

9 ft! n ZH9A u 4 0 31 .82

2.745 23 2 0 0 32.60

2.5447 21 0 0 2 35.24

1 T

11j z 1 1 ^fi . Aft HO

1 T

1X1 u 2 2 00"^R . ftn o\}

1111 4 1 AOHU . QnjU

2.1827 1 1 1 2 41.33

2.0925 1 -2 3 1 43.20

9 n7Q7 i.

11 5 0 A^HJ . Aft HO

00 5 1 44.02

9 n9 1 ft 3 2 44HH . 7Q/ 17 1.9718 11 2 3 1 45.99

1.9630 38 2 4 0 46.21

J

11 3 2 A7H / . AQH5

1 ftR=;A u 4 2 48 . 23

z u 6 0 ARHO . J^7/ 1.8557 1 -2 2 2 49.05

1.7795 11 2 0 2 51.30

Z 1 2 1 JH^A . 06UD

1 1 9 1 6 1 JH .

1.0// on ~Z 5 1 JH=;a . fi7 D / 1.6775M 0 1 3 54.67

1.6571 9 1 6 1 55.40

1.6408 3 -1 5 2 56 . 00

1.6141 10 2 5 1

•^7 01

1.6105 6 -2 4 2 J / . 1

J

1.6000M 29 3 2 1 57.56

1.6000M -1 2 3 57.56

1.5812 2 1 5 2 58.31

1.5462M 4 2 6 0 59.76

1.5462M -3 1 2 59.76

1.5406 5 1 7 0 60.00

1.5307 1 0 7 1 60.43

1.5184 12 1 2 3 60.97

1.5086 3 0 6 2 61.41

46
Neodymium Tantalum Oxide, NdTa04 - (continued)

d(A) jrel

a = ±4

2e('>)

* 1.5030M 8 2 4 2 61.66

1.5030M -3 4 1 61.66

1.4342M 5 3 4 1 64.97

1.4342M -1 4 3 64.97

1.4181 1 3 5 0 65.80

1.4042 2 0 8 0 66.54

1.4015 1 -2 3 3 66.68

1.3715 4 4 0 0 68.34

1.3545M 1 -2 7 1 69.32

1 . 3545M 0 5 3 69.32

1.3345 3 -1 7 2 70.51

1.3224 1 -1 8 1 71.25

1.3066 IL 1 8 1 72.25

1.3018 2 1 7 2 72.56

1 o on CM J 2 6 2 73.36

1.2895M -3 6 1 73.36

1.2726 6 0 0 4 74.50

1.2609 6 -4 0 2 75.31

47
Neodymium Titanium Oxide, NdaTiOg

Synonym

Neodymium titanate

CAS registry no. 12058-94-5

Sample

The sample was obtained from Alfa Products,

Thiokol/Ventron Division, Danvers, MA. The

material was heated at 1450 °C for 5*^ days,

then reheated at 1550 °C for 6\ days in

a platinum crucible. Material appears to be slightly rich in Ti02

Color

Pale blue

Structure

Orthorhombic, Pnam (62), Z = 4, isostructural

with La2Ti05. The structure of Nd2Ti05 was determined by Miiller-Buschbaum and Scheunemann

(1973).

Lattice constants of this sample

a = 10.7251(9) A

b = 11.3407(10)

c = 3.8457(4)

a/b = 0.9457

c/b = 0.3391

Volume o 467.75 A3

Density

(calculated) 5.913 g/cm^

Figure of merit

F30 = 98.8(0.008,36)

References

Miiller-Buschbaum, Hk. and Scheunemann, K. [1973]. J. Inorg. Nucl. Chem. 35, 1091.

CuKa \ = 1.540598 A; temp. 25±1 °C

^ o Internal standard W, a = 3.16524 A

d(A) l"^ hk£ 2e('') o = ±3

7 78 15 1 1 0 11 36

5 669 5 0 2 0 15 62

5 359 6 2 0 0 16 53

5 010 11 1 2 0 17 69

O'* / Q 1 AU 1 ft zy

3 895 7 2 2 0 22 81

3 642 5 0 1 1 24 42

3 566 25 1 3 0 24 95

3 449 8 1 1 1 25 81

J

c Q

1 AU ZD IZ

3 126 100 2 0 1 28 53

3 089 76 2 3 0 28 88

3 051 13 1 2 1 29 25

3 023 21 3 2 0 29 52

J UAH 1 7 9 11 i. Z?

2 836 3 0 4 0 31 52

2 743 4 1 4 0 32 62

2 736 4 2 2 1 32 70

2 695 41 0 3 1 33 21

At

2 616 19 1 3 1 34 25

2 609 18 4 1 0 34 34

2 598 13 3 3 0 34 50

2 550 6 3 1 1 35 16

1

J. 0 3 1 ^1J

1

2 3763 10 3 2 1 37 83

2 2187 9 1 5 0 40 63

2 1588 9 4 1 1 41 81

2 1529 16 3 3 1 41 93

£. lU / iS I AU HZ ft7

2 1004 6 2 4 1 43 03

2 0510 11 4 2 1 44 12

2 0070 3 5 2 0 45 14

1 9478 5 4 4 0 46 59

1 9233+ 26 3 4 1 47 22

1 9233+ 0 0 2 47 22

1 9009 42 4 3 1 47 81

1 8901 6 0 6 0 48 10

1 8650 8 5 3 0 48 79

1 8607 16 1 6 0 48 91

1 8483 8 5 1 1 49 26

1 8354 1 2 5 1

' 49 63

1 8206 2 0 2 2 50 06

1 7955 2 1 2 2 50 81

1 7873M 3 6 0 0 51 06

48
Neodytnium Titanium Oxide, NdaTiOs - (continued)

o d(A) a - ±3

2e(<')

1.7873M 2 1 2 51.06

1 . 7785 10 5 2 1

C 1 o o 51 . 33

1 . 7657 2 o 1 0

CI "TO 51.73

1 . 7376 / / /

if 1 52.63

1 . 7248 2 2 2 2 CO Ac 53 . 05

1.7150 9 3 5 1 53.38

1 . 7105 7

c5A

U CO CO 33 .33

1 . 7049 5 0 Z

A

U CO "7 O 53

.

1

Z

1 . 6927 6 1 3 2

C / 1 / 54 . 14

1 . 6758M 1 D 18 1 co 1 54. 73

1.6758M 3 1 2 54.73

1 . 6710 oo 3 o

AUC / AA 54 . 90

1 O O A o Z

tiC o o 30 . 33

1 .tZZi 11 o3 Z Z 30 . bo

1 . olo'tn 13 o 3

A c ^ no 5o . 9z

1.&164M 2 6 1 56.92

oo 01111C "7 O O 3 / . 30

1 AU

A Z

C T OA 3 / . By

1 C "7 O "7 1.0/8/ /. H

CD 1 CO /.I 36 . 41

1 C "7 /. C

1

.

57h5 1 1

/. Z CO CO 58 . 58

1.5626M 7 5 4 1 59.07

i . Dozon Au z

cQ m

o o Z J. CO 0 0 oy . Z3

1 ceo OM c3c3

A

u cn o

o

39 . Z3

1 C /. O 1 o

/. H 1 oZ CQ £.Q 39 . oo

1.5A48M 8 3 3 2 59.82

D

r\U CO Q O Dy . oZ

1 c o o o

/ oJ O 1 ^A Ot 00 . 30

1 C 1 0 /. cD 1 1 AU oo . y /

1 C 1 O 1 1 . 0 IZl 0 u£ 1 o c oi . Zd

1.4932 2 0 7 1 62.11

1 / "7 O TM / 7 2A

0 62 . 79

1 /. "7 O TM 1 . if / o /n 1 7 1 O "7 A o2 . 79

1 /.coo c5 J/. zA A D3 .99

t /.//CM 1 5 5 1 £ /. AC o4 . 43

1.4445M 4 3 2 64.45

1 / o o / 3 2 7 1

^/. *7£ o4. /O

1 . 4206M 3 5 1 2 65 .67

1 . 4206M 7 3 0 65 . 67

1 . 4181M 3 5

c0 0^ C OA 65 . 80

1.4181M 0 8 0 65.80

1 /.ATA 1 .hO/0 / o11 66 . 39

1.4042 3 6 5 0 66.54

1.3880 3 5 2 2 67.42

1.3807 3 7 2 1 67.82

1.3777 3 3 7 1 67.99

1.3685 3 4 4 2 68.51

49
Neodymi urn Titanium Oxide, Nd2Ti207

Synonym

Neodymium titanate

CAS registry no. 12035-31-3

Sample

The sample was prepared at NBS by solid

state reaction of stoichiometric amounts

of Nd203 and Ti02 . The mixture was heated

at 1200 °C for 1 day, then ground and heated

at 1425 °C for 6 days.

Color

Unground, light violet

Ground, very light purplish blue

Structure

Monoclinic, P2i (4), Z = 4. [Kimura et al.,

1974]

.

Lattice constants of this sample

a = 13.008(2)A

b = 5.4648(7)

c = 7.679(2)

p = 98.56(2)°

a/b = 2.3803

c/b = 1.4052

Volume o 539.79 A^

Density

(calculated) 6.107 g/cm^

Figure of merit

F30 = 41.7(0.012,61)

Additional pattern

PDF card 29-923 [Smith, C. and McCarthy

(1977). Pennsylvania State Univ.,

University Park, PA]

Reference

Kimura, M. , Nanamatsu, S., Kauamura, T.

,

and Matsushita, S. (1974). Jpn. J. Appl.

Phys. 13, 1473.

0 CuKa^ A. = 1.540598 A; temp. 25±1 °C

Internal standard Ag, a = 4 08651 A

d(A) jrel 2e(°) a = ±3

12.87 IL 1 0 0 6.86

7.03 IL -1 0 1 12.59

6.43 9 2 0 0 13.76

6.15 IL 1 0 1 14.39

5.029 5 1 1 0 17.62

0 d(A)

rel

I a = ±3hk£ 2e(°

4.432 IL 0 1 1 20.02

4.314 IL -1 1 1 20.57

4.162 46 2 1 0 21.33

4.085 1 1 1 1 21.74

3.998 1 -3 0 1 22.22

3.797M 12 -1 0 2 23.41

3.797M 0 0 2 23.41

3.511M IL 2 1 1 25.35

3.511M -2 0 2 25.35

3.372 9 3 1 0 26.41

3.216 50 4 0 0 27.72

3.119M 26 -1 1 2 28.60

3. 119M 0 1 2 28.60

3.077M 13 -3 0 2 29.00

3.077M 2 0 2 29.00

2 . 950M 100 -2 1 2 30.27

2.950M 1 1 2 30.27

2.770 29 4 1 0 32.29

2.732 35 0 2 0 32.75

2.681M 50 -3 1 2 33.40

2.681M 2 1 2 33.40

2.654M 24 -4 0 2 33.74

2.654M 3 0 2 33.74

2.571M 3 5 0 0 34.87

2.571M 0 2 1 34.87

2.556M 4 -1 0 3 35.08

2.556M -5 0 1 35.08

2.548 3 -1 2 1 35.20

2.503 1 4 1 1 35.85

2.431 IL -2 2 1 36.95

2.387M IL -4 1 2 37.65

2.387M 3 1 2 37.65

2.347 2 2 2 1 38.32

2.328 6 5 1 0 38.64

2.315M 3 -1 1 3 38.87

2.315M -5 1 1 38.87

2.293M 2 -5 0 2 39.26

2.293M 4 0 2 39.26

2.256 3 -3 2 1 39.93

2.218M 18 -1 2 2 40.64

2.218M 0 2 2 40.64

2. 154M 4 -2 2 2 41.90

2 . 154M 1 2 2 41.90

2. 144 6 6 0 0 42. 12 2.114M 12 -5 1 2 42.74

2.114M 4 1 2 42.74

2.082 26 4 2 0 43.43

2.043M 14 -3 2 2 44.30

2.043M 2 2 2 44.30

1.9961M 10 5 0 2 45.40

50
Neodymium Titanium Oxide, Nd2Ti207 - (continued)

o d(A) jrel

U — J. J

2e(«'

1.9961M 6 1 0 45.40

i . yOUD 1 A 9 1X Afi 97

1 . yJ JO 11 J nu q A6 ^Q

1 Q1QOM 1 u

A A7 '51 H / . jl

11 . Q1QQM y lyyn O 11 q A7 "^l

1.9043M 18 -4 2 2 47.72

1 QHA'^M oJ

0£. 0£. H / . / z

1 ft7Aft X Z9 M-O . JZ

1 ftAftOM i. . oDO^n o 1X1X AR 7ft

1 . oDoZn X oz qJ Aft HO . 7ft / u

1.8593 5 4 0 3 48.95

L . oHU D X q AOHy . AQH-y

1 ^^0*^+ nVJ A AQHy . AQHy

X . o jDo X 7 AU n AQ '^Q

1 > OUJO 1 T

XXj X J u '^ft

1.7756M 4 -3 2 3 51.42

0i. 1X J^lX . A9tz

1 77nRM A n Q 1X

">1 57 J X . J /

1X a 77flRM 1 1 ViOil -(\ n q ^1 '^7 RO

Ao 9 J X . !70

1.7531+ 10 -4 0 4 52.13

o qJ ft OZ . X J

1 J

1X A•4 jZ . HJ

X

1X Af jZ*\9 . A*^ HO

1X 7 X jz^9 . QAyn

1.6927 2 2 3 1 54.14

1 fiR79 A <; 0 n '^A

1 .6744M 7 _7 1± 9 iA . 7R/ o

1X 9 '^A 7R

AH -A. 1X A '^A Oft

1.6688M 2 1 4 54.98

L . DO / H

O0 J

q X

t^i^ qQ jD . jy

X . OHO lli X J

7 1X1X

t^";, 7q J J . / J

X . OHO Xil oJ u

A •^c: 7q

1 fiAOAM X • UH^HIl X u X q z9 OD . OAyn

1.6424M 0 3 2 55.94

X . U XvifT 1

9

£. Q oz Q9

X . U XU*T " X O z9 DO . Q9yz

X . U XZ.J11 D D 9 z9 K~l ft7

X . O X £.Jli cD

9 9Z

•^7 n7 D / . U /

1.6084M 3 5 1 3 57.23

X . UUOHil DO

AU ft ^1 9q 3 / . ZJ

1 . 1 9 D Z q (;7 Qi; 0 / . yo

1X . JOHO ^RA6 C.O

A qJ ftU JORft 17 . X / X.J/ O^il Qy J X A JO^R A*^ . HJ

1.5782M 3 1 4 58.43

1.5706 20 -1 2 4 58.74

1.5679M 24 -3 3 2 58.85

1.5679M 2 3 2 58.85

1.5597M 4 -2 2 4 59.19

0 d(A)

rel

I a = ±3

hkl 2e(°)

1.5597M 0 2 4 59.19

1 .5422 5 8 1 0 59 .93

1 .5387 5 -6 0 4 60.08

1.5279M 2 6 0 3 60.55

1 .5279M 8 0 1 60.55

1.5050 5 7 1 2 61.57

1 .4861M 2 5 3 0 62.44

1 .4861M -6 2 3 62.44

1.4791M 5 -7 2 2 62.77

1.4791M 0 3 3 62.77

1 A T 1 OM i

zo 1 0 J , IH 1.4713M 8 1 1 63.14

1.4295M 3 5 0 4 65.21

1.4295M 9 0 0 65.21

51
Neodymi um Titanium Oxide, Nd4Ti9024

Synonym

Neodymlum titanate

Sample

The sample was prepared at NBS using BaTiOs,

Ti02 , and very low alkaline content Nd203.

Stoichiometric amounts of the constituents

were blended with mortar and pestle, then

calcined in a platinum crucible, with

periodic grindings. An initial calcine at

1250 °C for 1 day, followed by a second

heating at 1350 °C for about 3 days was sufficient to yield a single phase product.

Color

Very light purplish blue

Structure

Orthorhombic, Fddd (70), determined from a single crystal, by Kolar et al. [1981].

Z = 16 is consistent with the density

of 5.13, measured by Kolar et al. [1978].

lattice constants of this sample

a = 14.475(2) A

b = 35.304(5)

c = 13.996(2)

a/b = 0.4100

c/b = 0.3964

Volume o 7152.3 A^

Density

(calculated) 5.171 g/cm^

(observed) 5.13 [Kolar et al., 1978]

Figure of merit

F30 = 53.1(0.011,51)

Additional patterns

Kolar et al. [1981]

Kolar et al. [1978], labeled Nd2Ti40ii

References

Kolar, D. Gabersfek, S., Barbulescu, A.,

and Volavsek, B. (1978). J. Less-Common

Metals 60, 137.

Kolar, D. , Gabers?ek, S., Volavsek, B.

,

Parker, H. S., and Roth, R. S. (1981).

J. Solid State Cham. 38, 158.

0 CuKa \

X = 1.540598 A; temp. 25±1 "C Internal standard Ag, a = 4. 08651 A

0 ^rel

1 hkJl a = ±3

9.70 4 1 1 1 9.11

6.71 /. 2 2 0 13.19

6.51 4 0 2 2 13.60

5.775 10 1 5 1 15.33

5.029 10 2 0 2 17.62

4.512M 5 1 7 1 19.66

4.512M U 6 2 19.66

4.412M 11 0 8 0 20.11

4.412M 1 1 3 20.11

4.373 6 2 4 2 20.29

4.157 5 1 3 3 21.36

3.759 J

11 5 3 23.65

3.655 2 1 9 1 24.33

3.617 2 4 0 0 24.59

3.500 3 0 0 4 25.43

3.382 17 3 7 1 26.33

3.347 r 4 0 26.61

3.317 46 2 8 2 26.86

3.251 92 0 4 4 27.41

3.225 9 3 3 3 27.64

3.172 18 2 10 0 28.11

3.151 A 10 2 28.30

3.102 4 2 2 4 28.76

3.056 4 1 11 1 29.20

3.030 18 3 5 3 29.46

2.974 25 3 9 1 30.02

2.941M AU 12 0 30.37

2.941M 1 9 3 30.37

2.823M 14 5 1 1 31.67

2.823M 4 6 2 31.67

2.793 14 3 7 3 32.02

2.778 5 2 6 4 32.20

2.741M 5 0 8 4 32.64

2.741M 1 1 5 32.64

2.677 3 1 3 5 33.45

2 . 623M 19 3 11 1 34.16

2.623M 1 13 1 34.16

2.601 5 1 11 3 34.45

2.549 5 3 9 3 35.18

2.540 19 2 12 2 35.31

2.516 26 4 0 4 35.66

2.488 4 4 2 4 36.07

2.419 1 4 4 4 37.14

2.391 9 6 2 0 37.59

2.379 3 4 10 2 37.79

52
Neodymium Titanium Oxide, Nd4Ti9024 - (continued)

d(A) I hkA 2e(°) a = ±3

2 .351 6 2 10 4 38 .25

2 .334 1 3 13 1 38 .55

2 .313M 6 4 6 4 38 .90

2 .313M 0 2 6 38 .90

2 .298 7 5 9 1 39 .17

2 .283 14 4 12 0 39 .43 2 .251M 9 0 12 4 40 02

2 .251M 1 9 5 40 02

2 .231 7 6 6 0 40 39

2 .220 5 2 0 6 40 .61

2 .207M 14 6 4 2 40 85

2 207M 0 16 0 40 85

2 186 14 4 8 4 41 27

2

-I ^ o 168 12 0 6 6 41 62

2 153 9 2 4 6 41 92

2 111 11 3 13 3 42 81

2 091 2 3 15 1 43 23

2 087 2 1 11 5 43 33

oL no 1 Uo 1 2. 1 15 3 43 A C 2 0431 1 7 1 1 44 30

2 0257 3 6 8 2 44 70

2 0206 5 2 16 2 44 82

1 9833M 10 5 3 5 45 71

1 9ojjrI o o8 O 45 71

1 9779 8 1 1 7 45 84

1 9730 8 6 2 4 45 96

1 9682 14 2 14 4 46 08

1 9650 11 7 5 1 46 16

1

1X oi

7

/ A Q

'to 1 9522M 5 11 3 46 48

1 9466 7 0 10 6 46 62

1 9268 3 3 15 3 47 13

1 9062 2 1 5 7 47 67

1 on o o oy JO 7 L

1 o lo 0 48 00

1 8887+ 12 0 18 2 48 14

1 8887+ 7 1 3 48 14

1 8813M 9 6 6 4 48 34

1 8813M 1 17 3 48 34

1 Q C "TOM oJ / oJ

/ o 73

1 8672M 0 16 4 48. 73

1 8611 1 4 6 6 48. 90

1 8441M 3 3 1 7 49 38

1 844 IM 1 7 7 49 38

1 8237M 5 3 3 7 49 97

1 8237M 5 13 3 49 97

1 8091 17 8 0 0 50 40

1 8028 17 6 12 2 50 59

1 7718M 20 8 4 0 51 54

1 7718M 2 12 6 51 54

1 7491 9 0 0 8 52 26

d(A)

jrel

a = ±3

2e(°)

1 . 7435M 7 6 14 0 52.44

1.7435M 8 2 2 52.44

1 . 7309 o8 6 10 52 . 85

1 . 7138M 21 1 19 3 53. 42

1 . 7138M 4 10 6 53.42

1.7032 9 7 9 3 53.78

1.6878 6 3 15 5 54.31

1 .6767 8 6 0 6 54 . 70

1 . 6707M 6 3 9 7 54.91

1 .6707M 2 4 8 54.91

1.6577M 5 4 16 4 55.38

1.6577M 1 21 1 55.38

1 . 6470+ IL 6 4 6 55 . 77

1 . 6470+ 7 3 5 55 . 77

1 . 6437 IL 5 1 7 55 . 89

1.6338M 2 7 13 1 56.26

1 . 6338M 2 6 8 56.26

1 . 6290+ 7 5 3 7 56 . 44

1 . 6290+ 7 1

1

3

C C II 56 . 44

1 . 625

1

7 3 19 3 56 . 59

1.6167 3 5 13 5 56.91

1.6005+ 5 8 2 4 57.54

1 £nncj. 1 . oOuo+ 1 13 7 57.54

1 c O £ / -1. 1 . 5oo't+ 5 2 8 8 58 . 10

1 . 5864+ 4 20 0 58 . 10

1.5814 12 8 4 4 58.30

1.5762M 10 3 17 5 58.51

1 . 5762M 0 20 4 58.51

1 .5718 5 1 21 3 58 . 69

1 .5677M 12 D 8 0 58 . 86

1.5677M 2 22 0 58.86

1.5641M 7 0 22 2 59.01

1 . 5641M 5 7 7 59 .01

1 . 5504M 7 4 4 8 59 . 58

1 .5504M 8 6 4 59 .58

1.5481M 6 4 14 6 59.68

1.5481M 4 20 2 59.68

1 .5413 2 8 12 0 59.97

1.5318M 3 2 10 8 60.38

1.5318M 7 9 5 60.38

1.5284 2 2 22 2 60.53

1.5188 IL 9 1 3 60.95

53
Nickel Titanium Oxide, NiTiOs

Synonyms

Nickel titanate

Nickel metatitanate

CAS registry no. 12035-39-1

Sample

The sample obtained from Alfa Products,

Thiokol/Ventron Division, Danvers, MA was

a mixture of oxides. It was heated at 1050 °C for 41s days in order to obtain a single phase.

Color

Medium yellow

Structure

Hexagonal, R3 (148), Z = 6, isostructural

with FeTiOa, Taylor [1930]. The structure

of NiTiOs was determined by Sullivan and

Pavlovic [1962].

Lattice constants of this sample

a = 5.0302(2) A

c = 13.7905(11)

c/a = 2.7415

Volume o 302.19 A^

Density

(calculated) 5.097 g/cm^

Figure of merit

F30 = 66.9(0.012,39)

Additional patterns

PDF card 17-617 [Skapski, Imperial College of

Sci. and Tech., London, Eng., Thesis, priv.

comm.

]

Barth and Posnjak [1934]

References

Barth, T. F. W. and Posnjak, E. (1934). Z. Kristallogr. Kristallogeom. Kristallphys

.

Kristallchem. 88A, 271.

Sullivan, D. G. and Pavlovic, A. S. (1962).

Proc. W. V. Acad. Sci. 34, 173.

Taylor, N. W. (1930). Z. Phys. Chem.

Leipzig B9, 241.

CuKa A. = 1.540598 A; temp. 25±1 °C

1 o

J.IlUCl;lla A. b LaliUalTU Uyi a y 0 3.16524 4

0 d(A) jrel hk£ 26(0) a = ±1

£. u 0 3

1 Q 9Q

L\*tl nu 1 2 9Zi 1

1 0 4 'X'x no 2.516 70 1 1 0 35.65

2.332 7 0 1 5 38.58

Z • £.yy 0 0 6 . XJ

. ZU / 1 1 3 An . 00

Z • ID 1 1 u 2 1 H X . D 2.077 3 2 0 2 43.53

1.8417 36 0 2 4 49.45

1 7QA.0 1 1 0 7

1 . yjyu^ J J

1± 1 6 si 09

11 0£. 1 1 Sfi 91 1.6025M 9 0 1 8 57.46

1.6025M 1 2 2 57.46

1 '^'^97 IT 0 9 60 . 34

X . HOJ J 9 1 4 62.45

1 HO^^ 9R •5 0 0 64 07

1.4138 1 1 2 5 66.03

1.3518 3 2 0 8 69.48

1 , J 1H\J 1 n 1X 0 10

± . jyjov 5

1 9 79 19

1X 9 1 7 7S/ J . 1X.J 1.2575 7 2 2 0 75.55

1.2275 3 3 0 6 77.74

1 91 90 9 2 3 78

1 . lyUjLi AH

11 2 8

i . lyUjCl 1 2 Rn ^i"; 1.1650 5 0 2 10

1.1492 1 0 0 12 84.18

1 l/.AR 1

.

£

D i 3 4 RA Q7

1 1 A<19 1 . lUJ/ 7 0 2 6 RR S7

1 07"% 7 u 4 2 Q1 46

1.0570 7 2 1 10 93.56

1.0385 3 4 0 4 95.76

J

3

1 8 1 09 96

.9721 2 2 2 9 104.82

.9598 6 3 2 4 106.75

.9506 4 4 1 0 108.26

.9309 1 4 1 3 111.68

.9207 1 0 4 8 113.58

.9088 5 1 3 10 115.90

54
Potassium Fluoride Hydrate, KF-2H20

Synonym

Potassium fluoride dihydrate

CAS registry no. 7789-23-3

Sample

The sample was obtained from the Fisher

Scientific Co., Fair Lawn, NJ. It was somewhat deliquescent.

Color

Colorless

Structure

Orthorhombic, Pb2im (26), Z = 2. The

structure was determined by Anderson

and Lingafelter [1951].

Lattice constants of this sample

a = 5.1848(7) A

b = 8.8328(12)

c = 4.0850(6)

a/b = 0.5870

c/b = 0.4625

Volume o 187.08 A^

Density

(calculated) 1.671 g/cm^

Figure of merit

F30 = 110.4(0.009,32)

Additional pattern

PDF card 1-854 [Hanawalt et al., 1938]

References

Anderson, T. H. and Lingafelter, E. C. (1951). Acta Crystallogr. 4, 181.

Hanawalt, J. D. , Rinn, H. W. , and Frevel,

L. K. (1938). Ind. Eng. Chem. Anal. Ed.

10, 457.

CuKa \ = 1.540598 A; temp. 25±1 °C

1 o Internal standard W, a 3.16524 A

d(A)

j.rel hk£ 2e(°)

CT = ±5

5.181 5 1 0 0 17.10

4.469 22 . 1 1 0 19.85

4.414 36 0 2 0 20.10

4.083 10 0 0 1 21.75

3.363 52 1 2 0 26.48

3.209 39 1 0 1 27.78

3.015 100 1 1 1 29.61

2.999 8 0 2 1 29.77

2.598 50 1 2 1 34.50

2.561 35 1 3 0 35.01

2.487 8 2 1 0 36.08

2.2356 5 2 2 0 40.31

2.2083 3 0 4 0 40.83

2. 1692 25 1 3 1 41 .60

2.1249 58 2 1 1 42.51

2.0426 23 0 0 2 44.31

2.0322 10 1 4 0 44.55

1.9618 9 2 2 1 46.24

1 .9455 26 2 3 0 46.65

1.9427 35 0 4 1 46.72

1.9009 3 1 0 2 47.81

1.8579 7 1 1 2 48.99

1.8536 7 0 2 2 49.11

1 . 8193 4 1 4 1 50. 10

1.7578 5 2 3 1 51.98

1.7453 8 1 2 2 52.38

1.7282 1 3 0 0 52.94

1.6962 11 3 1 0 54.02

1.6815 IL 2 4 0 54.53

1.6722 IL 1 5 0 54.86

1.6089 3 3 2 0 57.21

1.5969 8 1 3 2 57.68

1.5782 3 2 1 2 58.43

1.5662 IL 3 1 1 58.92

1.5075 1 2 2 2 61.46

1.4978 6 3 2 1 61 90

1.4599 5 2 5 0 63 69

1 . 4406 4 1 4 2 64 65

1.4157 1 1 6 0 65 93

1.4088 5 2 3 2 66 29

1.4001 4 3 3 1 66 76

1.3847 4 . 0 6 1 67 60

55
Potassium Iron Cyanide , K4Fe(CN)6

Synonym

Potassium ferrocyanide

CAS registry no. 13943-58-3

Sample

The sample was prepared by heating reagent

K4Fe(CN)6'H20 at 115 °C for 3 weeks.

Color

Pale yellow

Structure

Orthorhombic , Bmmm (65), Z = 4. The cell was found by use of the Visser program [1969]. The

space group was assigned by consideration of

the absences in the powder pattern.

Lattice constants of this sample

a = 14.010(7) A

b = 21.027(6)

c = 4.1751(13)

a/b = 0.6663

c/a = 0.1986

Volume o 368.35 A^

Density

(calculated) 1.989 g/cm^

Figures of merit

F30 = 24.1(0.015,83)

M20 =20.7

Additional pattern

PDF card 1-0877 [Hanawalt et al., 1938]

References

Hanawalt, J. D., Rinn, H. W. , and Frevel, L. K. (1938). Ind. Eng. Chem. Anal. Ed. 10, 457.

Visser, J. W. (1969). J. Appl. Crystallogr.

2, 89.

0 CuKoij \ = 1.540598 A; temp. 25±1 °C

Internal standard Ag, a = 4.

0 08651 A

0 a (.A J ,rel

1 hkH a = ±1

10.51 5 0 2 0 8.41

6.66 7 2 1 0 13.29

5.254 10 0 4 0 16.86

4.957 12 2 3 0 17.88

4 . zu in 16 0 5 0

4.201M 2 4 0 21.13

3.999 6 1 0 1 22.21

3.929 13 1 1 1 22.61

3.739 11 1 2 1 23.78

0 . dUh 89 2 5 0

3.500M U 6 0 25.43

3.500M 4 0 0 25.43

3.477 22 1 3 1 25.60

3.134M 47 2 6 0 28.46

4 3 0

3.078 on J 1 1 28.99

2.985 100 3 2 1 29.91

2.844 65 3 3 1 31.43

2.759 22 2 7 0 32.43

Z . 0/0 2 0 8 0 .11

2.501 7 3 5 1 35.88

2.402 10 1 7 1 37.41

2.206 22 5 3 1 40.88

2.197 35 1 8 1 41.05

1 ion 32 5 4 1 AO /. Q HZ . HO

2.102M 11 0 10 0 43.00

2.102M 4 8 0 43.00

2.087 20 0 0 2 43.31

2.040 21 6 5 0 44.36

Z . DID 8 2 10 0 HH . yo

2.009 8 3 8 1 45.09

1 . 943M 7 4 9 0 46.71

1.943M 6 6 0 46.71

1.842 7 6 7 0 49.43

1.807 16 2 5 2 50.47

1.8031 18 4 10 0 50.58

1.7453M 8 6 8 0 52.38

1.7453M 8 1 0 52.38

56
Potassium Vanadium Oxide, KVO3

Synonjrai

Potassium vanadate

Sample

The sample was prepared at NBS by fusing

K2CO3 and V2O5.

Color

Greyish pink

Structure

Orthorhombic , Pmab (57), Z = 4, isostructural

with NH4VO3 [Evans and Block, 1954] . The

structure was determined by Petrasova et al.

[1958].

Lattice constants of this sample

a = 5.6955(12)A

b = 10.7961(10)

c = 5.1796(3)

a/b = 0.5276

c/a = 0.4798

Volume o 318.49

Density

(calculated) 2.879 g/cm^

Figure of merit

F30 = 107.3(0.007,41)

Additional pattern

PDF card 26-1342 [Feigelson et al., 1972]

References

Evans, H. T. Jr. and Block, S. (1954). Am. Mineral. 39, 326.

Feigelson, R. S., Martin, G. W. , and Johnson,

B. C. (1972). J. Cryst. Growth 13-14 , 686.

Petrasova, M. , Madar, J., and Hanic, F. (1958).

Chem. Zvesti 12, 410.

.

CuKa \ = 1.540598 A; temp. 25±1 °C

' o Internal standard Ag, a = 4 08651 A

0 d(A) jrel

hkJ^ 2e("=') a = ±2

5 . 397 9 0 2 0 16.41

5 . 181 18 0 0 1 17 . 10

4.0/2 IL 0 1 1 18 .98

3.917 16 1 2 0 22.68

3.737 18 0 2 1 23.79

3.612 0 1 1 1 24.63

0 IOC J . 125 100 1 2 1 28 . 54

3 0 3 1 30 . 22

2.847 /. c 45 2 0 0 31.40

2.700 A

9 A

0 4 0 33.15

1 c 15 1 3 1 34. 16

2 . 590 18 0 0 2 34.61

0 C 1 0 CM 2 .51o5n 2 2 2 0 35.62

2.5185M A0 1 2 35.62

2.4391 16 1 4 0 36.82

/ A 4 1 37 .53

0 0 0 c 0 6 0 2 2 38.52

10 1 1 2 39.08

2 . 2063 z 1 4 1 40.87

2.1608 1 1 2 2 41.77

z. lUlo 4

A0 3 2 43 . 00

0 AC AC Z . 0505 3 2 3 1 44 . 13

1 An 0 0

I . yy jz 3 0 5 1 45 . 47

1.9594 T C 15 2 4 0 46.30

1.9164 c5 z 0 2 47.40

1 . 661

J

03 1 5 1/ 0 0 / 48 . 34

1 0 CO c \

.

0000 3 0 4 2

/ 0 ^ A 48.69

1 T A A 0 2 0 0 0 50. 70

1.7753 0 1 4 2 51.43

1.7261 1 0 0 3 53.01

1 . 7040 A

9 0 1 3 53.75

1 . 6999 10 0 6 1 53.89

1 . 6915M 10 3 2 1 54. 18 1.6915M 2 3 2 54.18

1.6585 1 0 5 2 55.35

1 Cf. I.e. 2 0 2 3 55 . 86

1 . 0j28n 2 1 1 3 56.30

1 . o328n 2 5 1 56.30

1 . 6290 2 1 6 1 56.44

1.5926 2 1 5 2 57.85

1.5799 6 1 2 3 58.36

1 .5624 3 2 4 2 59.08

1.5571 3 0 3 3 59.30

1.5531 3 3 4 0 59.47

1.5206 2 2 6 0 60.87

57
Potassium Vandium Oxide, KVO3 - (continued)

d(A)

a = ±2

hkS. 2e(°)

1X 9 11 0 0 0 1 7C/ D

1 4774+ 2 0 7 1 62 85

1 4774+ 0 6 2 62 85

X Hj y X 71 1X / J

X 'JJU Q0 nV/ 0

X 0 0£. 0 DO JO

1 4233M 4 0 0 65 53

1 A090M 2 1 4 3 66 28

J 409 on •5 a £. 1 3661 2 2 J

•xJ 68

I 3489M Q g 0 6Q

1 3489M 0 5 3 69 65

1 3129 5 1 8 0 71 85

1 2949M IL 2 4 3 73 01

1 2949M 0 0 4 73 01

1 2856 2 0 \ 4 73 62

1 2729 2 8 74 48

1 2591M 2 4 4 0 75 44

1 259 IM 0 2 4 75 44

1 2540 1 1 1 4 75 80

1 2459 3 0 6 3 76 38

1 2431 3 3 2 3 76 58

1 2296 IL 1 2 4 77 58

1 2184M 1 2 5 3 78 43

1 2184M 0 3 4 78 43

58
Silicon Nitride, p-Si3N4

Synonym

Trisilicon tetranitride

CAS registry no. 12033-89-5

Sample

The sample was prepared at NBS by J. Waring

by heating Si3N4 obtained from GTE Products,

Towanda, PA to 1785 °C for 1 hr at 15 psig.

The sample was contained in a Si3N4 crucible

within a molybdenum crucible.

Color

Greyish white

Structure

Hexagonal, P63/m (176), 1-1. The structure

was determined by Hardie and Jack [1957]

and confirmed by Borgen and Seip [1961].

Lattice constants of this sample

a = 7.6044(2)A

c = 2.9075(1)

c/a = 0.3823

Volume o 145.61 A^

Density

(calculated) 3.200 g/cm^

Polymorphism

Turkdogan and Ignatowicz (1957) established

the existence of two forms of Si3N4. These

two forms a and p generally occur together.

Ruddlesden and Popper (1958) reported the

possibility of a third form having still a different stacking sequence.

Figure of merit

F30 = 108.2(0.009,32)

Additional patterns

PDF card 9-259 [Decker, General Elec. Co.,

NY, priv. comm.)

PDF card 29-1132 [Morris et al., 1977]

Hardie and Jack [1957]

Ruddlesden and Popper [1958]

Narita and Mori [1959]

References

Borgen, 0. and Seip, H. M. (1961). Acta

Chem. Scand. 15, 1789.

Hardie, D. and Jack, K. H. (1957). Nature

London 180, 332.

Morris, M. C, McMurdie, H. F. , Evans, E. H.

,

Paritzkin, B. , de Groot, J. H. , Newberry, R.

,

Hubbard, C. R. , and Carmel, S. J. (1977).

Natl. Bur. Stand. U.S. Monogr. 25, Sec. 14,

116.

Narita, K. and Mori, K. (1959). Bull.

Chem. Soc. Jpn. 32, 417.

Ruddlesden, S. N. and Popper, P. (1958).

Acta Crystallogr. , n, 465.

Turkdogan, E. T. and Ignatowicz, S. (1957)

J. Iron Steel Inst. London 185, 200.

0 CuKa^ A. = 1.540598 A; temp. 25±1 °C

Internal standard Si, a = 5 43088 A

d(A) jrel nK* 2e(°) a = ±2

6.583 34 1 0 0 13.44

3.800 35 1 1 AU 23.39

3.293 100 2 0 0 27.06

2.660 99 1 0 1 33.67

2.489 93 2 1 0 36.05

2.310 9 1 1 1 38.95

2.1939 10 3

r\Ur\\j 41.11

2.1797 31 2 0 1 41.39

1.9013 ' 8 2 2 0 47.80

1.8916 5 2 1 1 48.06

1.8275 12 3 1 0 49.86

1.7525 37 3 u 1 52.15

1.5911 12 2 2 1 57.91

1.5467 6 3 1 1 59.74

1.5108 15 3 2 0 61.31

1.4534 15 0 0 2 64.01

1.4368 8 4 1 A

u 64.84

1.4325 5 4 0 1 65.06

1.4197 1 1 0 2 65.72

1.3579 1 1 1 2 69.12

1.3408 39 3 2 1 70.13

1.3299 6 2 u

0 70.79

1.3173 5 5 0 0 71.57

1.2883 18 4 1 1 73.44

1.2675 7 3 3 0 74.85

1.2554 16 2 1 2 75.70

1.2447 1 4 2 0 76.47

1.1998 2 5 0 1 79.89

1.1831 2 5 1 0 81.25

1.1618 IL 3 3 1 83.06

1.1551 2 2 2 2 83.65

1 . 1445 3 4 2 1 84.60

1.1377 3 3 1 2 85.23

1.0957 4 5 1 1 89.34

1.0828 3 4 3 0 90.70

1.0545 IL 5 2 0 93.85

1.0476 6 3 2 2 94.66

1.0269 IL 6 0 1 97.20

1.0219 4 4 1 2 97.84

1.0147 1 4 3 1 98.78

59
Silicon Nitride, p-Si3N4 - (continued)

o d(A) a = ±2

hk£ 2e(°)

1 . 0043 2 6 1 0 100 17

. 9914 3 5 2 1 101 97

.9761 4 5 0 2 104 21

.9589 3 1 0 3 106 90

.9554 5 3 3 2 107 46

.9492 8 6 1 1 108 49

.9455 1 4 2 2 109 12

. 9408 1 5 3 0 109 93

.9298 2 2 0 3 111 89

.9175 1 5 1 2 114 19

.9132 3

c0 2 0 115 02

.9034 4 1 117 00

. 8950 3 5 3 1 118 78

. OODO 5 J 0 3 120 65

.8722 6 7 1 0 124 06

.8712 5 6 2 1 124 29

.8682 5 4 3 2 125 05

.8634 1 2 2 3 126 29

.8561 1 3 1 3 128 27

.8537 2 5 2 2 128 93

60
Silicon Oxide (Quartz- low), a-Si02

Synonym

Silicon dioxide

CAS registry no. 7631-86-9

Sample

The sample was obtained from the Glass Section at NBS. The material was ground single

crystals of optical quality.

Color

Colorless

Structure

Hexagonal, P3i21 (152), Z = 3, Bragg and

Gibbs [1925]. Iwai et al. [1969] and Smith

and Alexander [1963] refined the structure.

Thermal effects have also been studied by

these authors.

Lattice constants of this sample

a = 4.9133(2) A

c = 5.4053(4)

c/a = 1.1001

Volume o 113.00 A^

Density

(calculated) 2.649 g/cm^

Polymorphism

Silicon oxide, Si02, crystallizes in many

other polymorphic forms.

Figure of merit

F30 = 77.6(0.013,31)

Reference intensity

I/I corundum 4.32(3)

Additional pattern

PDF card 5-490 [Swanson et al., 1954], pattern

redone to reflect improved techniques for

measuring intensities. Citation to many

additional patterns is made in the above

reference

.

References

Bragg, W. H. and Gibbs, R. E. (1925). Proc.

Roy. Soc. London A109, 405.

Iwai, et al. (1969). Yogyo Kyokai Shi (J.

Ceram. Assoc. Japan) 72, 172.

Smith, G. S. and Alexander, L. (1963). Acta

Crystallogr. 16, 462.

Swanson, H. S., Fuyat, R. K. , and Ugrinic,

G. M. (1954). Natl. Bur. Stand. U.S. Circ.

539, 3, 24.

0 CuKa^ k - 1.540598 A; temp

.

25±1 °C

Internal standard Si, a = 5

0 43088 A

0 d(A) jrel

hkS. 2e(°) a = ±1

4.257 22 1 0 0 20.85

3 . 342 100 1 0 1 26.65

2.457 8 1 1 0 36.54

2.282 8 1 0 2 39.46

2.237 4 1 1 1 40.29

2.127 6 2 0 0 42.47

1.9792 4 2 0 1 45.81

1.8179 14 1 1 2 50.14

1.8021 IL 0 0 3 50.61

1.6719 4 2 0 2 54.87

1.6591 2 1 0 3 55.33

1.6082 IL 2 1 0 57.24

1.5418 9 2 1 1 59.95

1.4536 1 1 1 3 64.00

1.4189 IL 3 0 0 65.76

1.3820 6 2 1 2 67.75

1 .3752 7 2 0 3 68. 13

1.3718 8 3 0 1 68.32

1.2880 2 1 0 4 73.46

1.2558 2 3 0 2 75.67

1.2285 1 2 2 0 77.66

1. 1999 2 2 1 3 79.88

1.1978 1 2 2 1 80.05

1.1843 3 1 1 4 81.15

1.1804 3 3 1 0 81.47

1.1532 1 3 1 1 83.82

1 . 1405 IL 2 0 4 84.97

1.1143 IL 3 0 3 87.46

1.0813 2 3 1 2 90.86

1 . 0635 IL 4 0 0 92.82

1.0476 1 1 0 5 94.66

1 .0438 IL 4 0 1 95 . 12 1.0347 IL 2 1 4 96.22

1.0150 1 2 2 3 98.74

.9898 1 4 0 2 102.20

.9873 1 3 1 3 102.56

.9783 IL 3 0 4 103.88

.9762 1 3 2 0 104.20

.9636 IL 2 0 5 106.14

.9607 1 3 2 1 106.61

.9284 IL 4 1 U 112.13

.9181 IL 3 2 2 114.08

. y loi 1 4 0 3 114.46

.9151 IL 4 1 1 114.66

.9089 IL 2 2 4 115.89

61
Sodium Aluminum Oxide, p-NaAlOg

Synonym

Sodium aluminate

CAS registry no. 1302-42-7

Sample

The sample was obtained from ICN-K&K

Laboratories, Inc., Plainview, NY. It was partially hydrated and was heated in

air to 875 °C for 1 hour. It changed back

readily to a hydrate.

Color

Colorless

Structure

Orthorhombic , Pna2i (33), Z = 4, isostructural with orthorhombic sodium

ferrite, p-NaFe02. The unit cell and

space group were determined by Thery and

Briancon [1964].

Lattice constants of this sample

a = 5.3868(11) A

b = 7.0334(15)

c = 5.2182(10)

a/b = 0.7659

c/b - 0.7419

Volume o 197.70 A^

Density

(calculated) 2.75U g/cm^

Polymorphism

There is a tetragonal "y-form, stable at high temperatures. The temperatur-e of

transformation ^ ^ ^ is 470 °C [ibid.].

Figure of merit

F30 = 58.6(0.013,39)

Additional pattern

PDF card 19-1177 [ibid.]

Reference

Thery, J. and Briancon, D. (1964). Rev.

Int. Hautes Temp. Refract. 1, 221.

0 CuKa^ \ = 1.540598 A; temp

.

25±1 °C

Internal standard Si, a = 5.

0 43088 A

0 d(A)

rel

I hk£ 2e(°)

a = ±1

4.283 35 1 1 0 20.72

4 . 195 34 0 1 1 21 . 16

3. 306 4 1 1 1 26.95

2.946 84 1 2 0 30.31

2.695 74 2 0 0 33.22

2.609 94 0 0 2 34.34

2.564 100 1 2 1 34.96

2.515 7 2 1 0 35.67

2.393 14 2 0 1 37 .55 2.267 4 2 1 1 39 . 72

2.227 5 1 1 2 40.47

2. 148 10 1 3 0 42.03

2. 139M 12 0 3 1 42.21

2. 139M 2 2 0 42.21

2.096 2 0 2 2 43.13

1.987 8 1 3 1 45.62

1 .953 24 1 2 2 46.47

1 . 8740 16 2 0 2 48.54

1 .8108 3 2 1 2 50.35

1 . 7695 8 2 3 U 51 .61

1.7578 24 0 4 0 51.98

1 . 7395 4 3 1 0 52.57

1.6886 3 0 1 3 54.28

1 . 6741 5 2 3 1 54.79

1.6591 4 1 3 2 55.33

1.6541 5 2 2 2 55.51

1 .5989 33 3 2 0 57.60

1 .5286 8 3 2 1 60.52

1 .4974 35 1 2 3 61.92

1 . 4722 15 2 4 0 63. 10

1.4581 22 0 4 2 63.78

1 .4170 13 2 4 1 65.86

1 . 3971 2 0 3 3 66.92

1 . 3754 3 3 3 1 68. 12 1.3631 25 3 L / 68.82

1.3039M 10 0 0 4 72.42

1.3039M 4 0 1 72.42

1 .2823M 9 2 4 2 73.84

1.2823M 4 1 1 73.84

1.2475 3 1 1 4 76.26

1.2217 2 3 4 1 78.18

1.2057 2 1 4 3 79.42

62
Sodium Borate, NaB02

Synonym

Sodium metaborate

Sample

The sample was prepared by dehydrating

NaB02*4H20 obtained from the Fisher

Scientific Co., Fair Lawn, NJ.

Color

Colorless

Structure

Hexagonal, R3c (167), Z = 18. The structure

was redetermined by Marezio et al. [1963].

The structure had been determined earlier by

Fang [1937], [1938].

Lattice constants of this sample

a = 11.9217(7) A

c = 6.4182(5)

c/a = 0.5384

Volume o 789.99 a3

Density

(calculated) 2.490 g/cm^

Figure of merit

F30 = 64.8(0.012,39)

Additional patterns

PDF card 12-383 [Pistorius, Inst. Geophysics,

U. Calif., Los Angeles, CA] labeled anhydrous

but appears to be 4H2O.

PDF card 12-492 [Norment et al., 1960]

PDF card 16-267 [Bouaziz, 1962]

Coles, Scholes, and Amberg [1937]

References

Bouaziz, R. (1962). Bull. Soc. Chim. Fr.

7, 1451.

Coles, S. S., Scholes, S. R. , and Amberg,

C. R. (1937). J. Amer. Ceram. Soc. 20,

215.

Fang, S. M. (1937). J. Amer. Ceram. Soc.

20, 214.

Fang, S. M. (1938). Z. Kristallogr.

Kristallgeometrie Kristallphys . Kristallchem.

99A , 1.

Marezio, M., Plettinger, H. A., and Zachariasen,

W. H. (1963). Acta Crystallogr. 16, 594.

Norment, H. G. , Henderson, P. I., and South,

R. L. (1960). Anal. Chem. 32, 796.

0 CuKa^ K = 1.540598 A; temp. 25±1 °C

Interna] standard Si, a = 5

0 43088 A

0 d(A)

rel

1 nKJ6 2e(°)

5.953 3 1 1 0 14.87

3.441 IL 3 0 0 25.87

3.063 100 0 1 2 29. 13

2.982 2 2 2 0 29.94

2.724 lb 0

0 32.85

2.614 73 1 3 1 34.28

2.478 19 1 2 2 36.22

2.253 8 4 1 0 39.98

2.221 54 3 2 1 40.58

2.136 i 1 z 42.27

2.013M 49 1 1 3 45.00

2.013M 0 4 2 45.00

1.9870 43 3 3 0 45.62

1.9054 5 2 3 2 47.69

1.8672 Z J 1 48.73

1 . 7815 16 5 1 1 51.24

1.7370M 9 2 2 3 52.65

1.7370M 5 0 2 52.65

1.6674 6 4 2 2 55.03

1.6527 QJ

cJ

0£. A

u 55.56

1 .6408 6 4 3 1 56.00

1.6053 5 1 5 2 57.35

1.5854 5 1 0 4 58.14

1.5509 14L 4 1 3 59.56

1.5318 / U Z

A 60.38

1 .5002 IL 3 4 2 61.79

1 . 4836 1 2 1 4 62.56

1.4374 4 3 5 1 64.81

1.4136 IL 6 1 2 66.04

1.3997 1 J 66.78

1.3629 IL 4 0 4 68.83

1.3401 6 0 7 2 70. 17 1.3283 IL 3 2 4 70.89

1.3074 1 2 6 2 72.20

1.2672 £. A

u

cD 74.87

1.2393 2 2 4 4 76.86

1.2224M 5 4 4 3 78.12

1 . 2224M 4 5 2 78.12

1.2136 1 5 1 4 78.80

1.1974 Q U z 80.08

1.1740 5 7 2 2 82.01

1.1713 5 3 1 5 82.24

1.1647 2 4 6 1 82.81

1. 1521 3 7 1 3 83.92

1.1472 a 0 0 84.36

1.1311 3 1 8 2 85.85

1.1285 2 2 3 5 86.09

1. 1110 2 6 4 2 87.79

1.0861 2 3 5 4 90.35

1.0725 1 4 2 5 91.82

1.0698 2 0 0 6 92. 11

63
Sodium Niobium Oxide (Lueshite), NaNbOa

Synonym

Sodium niobate

CAS registry no. 12034-09-2

Sample

The sample was obtained from Shieldalloy

Corp., Newfield, NJ. It was annealed at

1275 "C for 4 days.

Color

Colorless

Structure

Orthorhombic , Pbma (57), Z = 8. It has a distorted perovskite structure which was refined by Sakowski-Cowley at al. [1969]

after earlier work [Vousden, 1951; Wells

and Megaw, 1958]

.

Lattice constants of this sample

a = 5.5687(5) A

b = 15.523(2)

c = 5.5047(6)

a/b = 0.3587

c/b = 0.3546

Volume o 475.84 A3

Density

(calculated) 4.575 g/cm^

Polymorphism

NaNbOs becomes tetragonal at about 225 "C, and

cubic near 435 °C [Wood, 1951]. Wood et al.

[1962] described a field-induced ferroelectric

polymorph which has a cell similar to the

orthorhombic phase except that the £ is halved.

Bulakh et al. [1962] described a new mineral,

natroniobite , which is principally NaNbOs

and presumably monoclinic.

Figure of merit

F30 = 35.1(0.010,82)

Additional patterns

PDF card 14-603 [Wood, E., Bell Telephone Lab.,

Murray Hill, NJ]

PDF card 19-1221 [Parker et al., 1962]

References

Bulakh, A. G. , Kukharenko, A. A., Knipovich,

Yu. N., Kondrat'eva, V. V., Baklanova, K. A.,

and Baranova, E. N. (1960). Inform. Sb. Vses.

Nauch. Issled. Geol. Inst. p. 114.

Parker, Adams, and Hildebrand (1962). U.S.

Geol. Surv. Prof. Pap. 450C , 4.

Sakowski-Cowley, A. C, Lukaszewicz, K.

,

and Megaw, H. D. (1969). Acta Crystallogr.

B25 , 851.

Vousden, P. (1951). Acta Crystallogr. 4,

545.

Wells, M. and Megaw, H. D. (1958). Acta

Crystallogr. 11, 858.

Wood, E. (1951). Acta Crystallogr. 4,

353.

Wood, E. A., Miller, R. C, and Remeika,

J. P. (1962). Acta Crystallogr. 15, 1273.

0 CuKa^ \ = 1.540598 A; temp

.

25±1 °C

Internal standard Si, a = 5.

0 43088 A

0 d(A) jrei

hkJK 20(0) a = ±2

3.912 89 1 0 1 22.71

3 . 882 45 0 4 0 22 . 89

^ 7Q7 \ 1 1 23 . 41

3 . 122 IL \ 3 1 28 .57 24 2 0 0 32. 11

2.754M 100 1 4 1 32.49

2 . 754M 0 0 2 32.49

2.468 \ \ 0 2 36.37

2.453M \ 2 1 1 36.61

2 . 453M 2 3 0 36.61

2.435 1 1 1 2 36.88

1X 2 2 1 38 . 00

1X I 2 2 3ft PS

1 0 6 1 38.41

\ 2 4 0 39 ftl

2.245 2 0 4 2 40.13

1 TXXj 0 4 1 HJ . X J

£.0 0z. 0 2

1 n 8 0 Ufi HO , 7Q1 y

0 5 1 Lf> 7Q

1X 0 2 3 51.11

1.7857M 1 6 2 51.11

1.7591 7 3 0 1 51.94

1.7478M 12 3 1 1 52.30

1.7478M 2 4 2 52.30

1.7432 14 1 0 3 52.45

1.7385 16 1 8 1 52.60

1.6652 1 3 3 1 55.11

1.6593 1 0 4 3 55.32

1.6018 11 3 4 1 57.49

1.5894 20 1 4 3 57.98

1.5780 1 1 9 1 58.44

1.5314M 1 2 0 3 60.40

1.5314M 3 1 2 60.40

1.5252M 1 1 8 2 60.67

64
Sodium Niobium Oxide (Lueshite), NaNbOs - (continued)

o d(A) J rcx 2e(°)

1.5252M 2 1 3 60.67

1 AQA7 1 T

XXj nu xu 1X

11 . jy£.j ^Q9Q A u nu O / . lo

1 ^77QM XO •a 7 X D / . !70

1 '^77QM 9 Qo z9

1.3745 8 2 5 3 68.17

1 . OH'^jrl 1 T

XXj A** X X oy . y X A o Au AO Q

1

\>y . 7 X

1 . JJOZ 1 T

Xl« X AU

AH 7n A

1

/ U . X

1 ^1 AAM 1 T

XXj X Z

A / X . O J

1.3164M 2 10 1 71.63

1X A AtAU 79 (\C\ I Z . UU

X • D\J3Z. A o QO

1X 79 A7

X . £.yODl.i J U

/. A 79 on

X . £.y\jDLl X QO

oO 79/ Z . ony\J

1.2935M 3 0 12 0 73.10

X • Z.y3jn X O AH 7Q 1

X . 4.0**y 1 T

XXi o QJ

QJ

7*; HQ

X ^H-^f 9 A'I u Z9 7A A'^

X • ^jOO Q

X 9Z 7A/ O . Q9yz

1.2369 3 3 4 3 77.04

ozA 77 9ft / / . ZC

1.2283 5 1 12 1 77.68

1 . 1831 IL 4 4 2 81 . 25

1.1757 1 2 4 4 81.87

1.1706 1 0 12 2 82.30

1.1311 1 A 8 0 85.85
Sodium Nitrosyl Iron Cyanide Hydrate, Na2(N0)Fe(CN)5'2H20

Synonyms

Sodium nitroprusside dihydrate

Sodium nitroferricyanide dihydrate

Sodium nitrosylpentacyanoferrate dihydrate.

CAS registry no. 13755-38-9

Sample

The sample was obtained from Alfa Products

,

Thiokol/Ventron Division, Danvers, MA.

Color

Unground, deep reddish brown

Ground, light yellow pink

Structure

Orthorhombic, Pnmn (58), Z = 4. [Cooke,

1946] . The structure was determined by

Manoharan and Hamilton [1963].

Lattice constants of this sample

a = 11.908(4)1

b = 15.564(4)

c = 6.2031(14)

a/b = 0.7651

c/b = 0.3986

Volume g 1149.7 A^

Density

(calculated) 1.721 g/cm^

Figure of merit

F30 = 36.6(0.012,68)

Additional pattern

PDF card 1-289 [Haaawalt et al. , 1938]

References

Cooke, P. W. (1946). Nature London 157,

518.

Hanawalt, J. D. , Rinn, H. W. , and Frevel,

L. K. (1938). Ind. Eng. Chem. Anal. Ed.

10, 457.

Manoharan, P. T. and Hamilton, W. C. (1963).

Inorg. Chem. 2, 1043.

0 CuKa^ \ = 1.540598 A; temp. 25±1 °C

Interna] standard Si, a — 5

0 43088 A

0 d(A)

jrel hk£ 2e(°)

U — —

7.79 33 0 2 0 11.35

J . yoy /, Z 0 0

D . /DU An U 1 1

1 R ^7

J . jU / z I 0 1

1 A nft ID . Uo

H . 1 ZD <19 0 J Z 2 0

1 Q 7A

4.492 10 1 2 1 19.75

*\ . zyo 1 0z 0 1 ZU9A . AADO

A 1 ^0 z 1 1 9 1 Ac; ^ QftO J . yoz 1IZ9 n 3 1 ZZ99 . 91J i J ftOA O^** nU 4 0 ZZ99 ft9 . oz

3.847 3 3 1 0 23.10

J . OHO 7/ 0 0 1 zo . oz

O . 01 L LO 0z 3 1 ZO9^^ . Q1y 1 D . ZOo 1 9 IZ z 4 0 97 9=; z / . 00

D . 1 JU Z

0 3 0 Zo9ft 91 . Ji.

3.004 9 1 0 2 29.72

AH i 1 2 9n 9n

y J

0z 4 1 ju9n Qft . y 0

u 2 2 ju9n Oft . yo

0 3 1 910 ft9 1 oZ

2.710M 19 1 5 1 33.03

Z

0 . "71

/ 1 HMUfl z 1 2 099J . n9UJ

9 AAA z

A

1 1 99 ft7 z9 '^Q'3M . J y jn ZZ99 U 6 0 j^f 9A . jO^ft z . jy Z 2 2 9A . jO

2.536M 31 4 2 1 35.37

9z '^^^nM . D jon J 4 1 03 •Of Z9 A9'^ . hZJ

CD u 4 2 97 (Ml 9 A 1 A cJ

0J 1 2 97 9

1

Z . Jtto zu9n 3 1 97 79

2.346 2 1 6 1 38.33

Z . DOJ z

0 2 2 Jo .DO

0 O /. "7 Z . Z^J /

*>z 4 2

Z . IHI Zi H 0 2 hzA9 (\(\

. uo

9 AO 9 1

J. A

U 7 1 A9HO 9ft * ZU

2.033 13 4 5 1 44.53

1 . y / i^f 7 11 2 3 AAHO fift . uu

1 QAt^i^ 1 9 IZ U 8 0 HO . DJ

1 . yoo'* 0 Z9 1 3 to .00

1 . y lyD 0 U 3 3 A7H / . OZ99

1.8868 8 2 6 2 48.19

T Q 0 "7 1 1 Z 3 3 AQ ft7

1 . ttUHO 1 4 3 jU . OM1 "TTO 0

1 . / /y/ 0

0 6 2 ^1 91

1 . / /OU D 3 1

1 Al

1.7221 5 0 5 3 53.14

1.6988M 5 5 4 2 53.93

1.6988M 4 0 3 53.93

1.6878M 7 4 1 3 54.31

l'.6878M 5 6 1 54.31

66
Sodium Vanadium Oxide, a-NaVOg

Synonym

Alpha-sodium metavanadate

CAS registry no. 11126-25-3

Sample

The sainple was contributed by Riedel-de Haen,

Hannover, West Germany. It was labeled

NaVOg-HzO.

Color

Colorless

Structure

Monoclinic, I2/a (15), Z = 8. [Marumo et al.,

1974] . This phase has been reported to be

in space group Cc (9) [Feigelson et al.,

1972].

Lattice constants of this sample

a = 10.333(2) A

b = 9.473(2)

c = 5.880(2)

P = 104.20(2)°

a/b = 1.0908

c/b = 0.6207

Volume o 557.90 A^

Density

(calculated) 2.903 g/cm^

Polymorphism

Beta NaVOs changes irreversibly to a-NaVOa at about 404 °C. [Lukacs and Strusievici, 1962].

Figure of merit

F30 = 43.2(0.014,48)

Additional patterns

PDF card 20-1168 [Lelong, 1966]

PDF card 27-828 [Feigelson et al., 1972]

PDF card 30-1259 [Kolta et al., 1973]

PDF card 30-1258 [Perraud, 1974]

Lukacs and Strusievici, [1962]

References

Feigelson, R. S., Martin, G. W. , and Johnson,

B. C. (1972). J. Cryst. Growth 13-14 , 686.

Kolta, G. A., Hewaidy, I. F., Felix, N. S., and

Girgis, N. N. (1973). Thermochim. Acta 6, 165.

Lelong, L. (1966). Rev. Chim. Miner. 3, 259.

Lukacs, Land Strusievici, C. (1962). Z. Anorg. Allg. Chem. 315, 323.

Marumo, F., Isobe, M. , and Iwai, S. (1974).

Acta Crystallogr. B30, 1628.

Perraud, J. (1974). Rev. Chim. Miner. U, 302.

0 CuKa^ A, = 1.540598 A; temp. 25±1 °C

Interna] standard Ag, a = 4

0 08651 A

0 d(A) jrel

2e('') a = ±4

6.87 2 1 1 0 12.87

5.007 41 2 0 0 17.70

4.736 18 0 2 0 18.72

3.931 3 -2 1 1 22.60

3.612 62 -1 z 1I 24.63

3.439 26 2 2 0 25.89

3.261 100 1 2 1 27.33

3.179 28 2 1 1 28.05

3.147 71 3 1 0 28.34

3.010 2 1 3 u 29.66

2.848 14 0 0 2 31.39

2.788 38 -2 0 2 32.08

2.764 11 0 3 1 32.37

2.680 33 -3 2 1 33.41

2.447 12 -4 11

11 36.70

2.409 3 -3 1 2 37.30

2.367 1 0 4 0 37.99

2.304 6 2 3 1 39.06

2.295 8 3 3 0 39.22

2.251 10 2 n 0 40.03

2.179 16 -1 4 1 41.40

2.150 3 -1 3 2 41.99

2.140 4 2 4 0 42. 19 2.097 6 1 4 1 43.10

2.060 4 4

1111 43.91

2.033 2 2 2 2 44.52

1.959 16 5 1 0 46.30

1.914 4 -3 4 1 47.47

1 . 863M 5 0 1 3 48.86

1 . 863M 1 J n\j 48.86

1.8337 4 -5 1 2 49.68

1.8220 5 0 4 2 50.02

1.8091 21 -1 2 3 50.40

1.7550M 12 3 4 1 52.07

1.7550M 4 J

11 52.07

1.7212 2 4 4 0 53. 17 1.6924M 1 -6 1 1 54.15

1.6924M 5 3 0 54.15

1.6699 2 6 0 0 54.94

1.6547 2 -2 QJ

QJ 55.49

1.6475 5 3 5 0 55.75

1 . 6245 2 -6 0 2 56.61

1.5792 2 0 6 0 58.39

1.5272 3 1 5 2 60.58

1.5108 13 -6 3 1 61.31

1.5086M 11 -1 4 3 61.41

1.5086M -3 5 2 61.41

1.4602M 9 2 3 3 63.68

1 . 4602M 5 1 2 63.68

1.4151 4 7 1 0 65.96

67
Sodium Vanadium Oxide, p-NaVOa

CuKa \ = 1.540598 A; temp. 25±1 °C

' o Internal standard Si, a = 5.43088 A

Synonym

Beta-sodium metavanadate

CAS registry no. 11126-25-3

Sample

The sample was prepared from NaV03*H20,

which was crystallized from an aqueous

solution, by heating at 300 °C for 4 days.

Color

Colorless

Structure

Orthorhombic, Z = 4. [Perraud, 1974]

Lattice constants of this sample

a = 5.3625(15) A

b = 14.155(6)

c = 3.6499(11)

a/b = 0.3788

c/b = 0.2579

Volume o 277.06 A3

Density

(calculated) 2.923) g/cm^

Polymorphism

Beta-NaVOs changes irreversibly to a-NaVOs at

about 404 °C. [Lukacs and Strusievici, 1962]

Figure of merit

F28 = 17.8(0.018,88)

Additional patterns

PDF card 1-246 [Hanawalt et al.], pattern

mislabeled NaVOg-HaO.

PDF card 27-824 [Perraud, 1974]

PDF card 30-1260 [Feigelson et al., 1972]

Lukacs and Strusievici [1962]

References

Feigelson, R. S., Martin, G. W. , and Johnson,

B. C. (1972). J. Cryst. Growth 13-14 , 686.

Hanawalt, J. D. , Rinn, H. W. , and Frevel,

L. K. (1938). Ind. Eng. Chem. Anal. Ed.

10, 457.

d(A) l""^^ hk& 2e(<»)

CT = ±2

7 09 11 0 2 0 12 48

5 01. 100 1 1 0 17 68

4 283 6 1 2 0 20 72

3 542M 24 1 3 0 25 12

3 542M 0 4 0 25 12

3 248 18 0 2 1 27 44

3 019 13 1 0 1 29 57

2 954M 35 1 4 0 30 23

2 954M 1 1 1 30 23

2 683 12 2 0 0 33 37

2 635 2 2 1 0 34 00

2 541M 7 1 3 1 35 29

2 541M 0 4 1 35 29

2 506M 5 2 2 0 35 80

2 506M 1 5 0 35 80

2 360 2 0 6 0 38 10

2 333 4 2 3 0 38 56

2 295 5 1 4 1 39 22

2 067 1 2 2 1 43 76

1 965 5 2 3 1 46 17

1 892 5 1 7 0 48 06

1 824 6 0 0 2 49 95

1 771 3 2 6 0 51 56

1 732 1 3 2 0 52 80

1 716 5 1 I 2 53 36

1 679M 2 1 7 1 54 62

1 679M 1 2 2 54 62

1 6051 4 3 0 1 57 36

1 5944M 7 3 1 1 57 78

1 5944M 2 6 1 57 78

1 5521 1 1 4 2 59 51

1 5090M 2 1 9 0 61 39

1 5090M 2 0 2 61 39

1 4745 3 1 5 2 . 62 99

1 3942M 2 1 9 1 67 08

1 3942M 1 6 2 67 08

Lukacs, 1. and Strusievici, C. (1962). Z. Anorg. Allgem. Chem. 315, 323.

Perraud, J. (1974). Rev. Chim. Miner. 11,

302.

68
strontium Iron Oxide, SrFei20i9

Synonyms

Strontium hexaferrite

Dodecairon strontium 19-oxide

CAS registry no. 12023-91-5

Sample

The sample was prepared at NBS from a stoichiometric mixture of SrCOs and

Fe203, heated at 1000 °C for 1 day, then

at 1200 "C for 5 days with periodic grinding. It was then held at 1390 "C for 8 h

and cooled at 2° per hour to 500 °C.

Color

Blackish blue

Structure

Hexagonal, P63/mmc (194), Z = 2, isostructural with magnetoplumbite, PbFei20i9>

[Adelskold 1938] . Stacking faults seemed

to occur in the OOH direction, without final

annealing of the sample.

Lattice constants of this sample

a = 5.8868(5)A

c = 23.037(2)

c/a = 3.9133

Volume o 691.38 A^

Density

(calculated) 5.100 g/cm^

Figure of merit

F30 = 53.2(0.011,51)

Additional pattern

PDF card 24-1207 [Smith, Allen Clark Research Centre, Plessey Co. Ltd., Towcester,

Northants, U.K.]

Reference

Adelskold, V. (1938). Ark. Kemi Mineral.

Geol. 12A, #29, 9.

CuKa K = 1.540598 A; temp. 25±1 °C

^ o standard Ag, a — H VjOO 0 1 e\

0 d(A)

jrel

hkS. 2e(°)

a = +2

11.49 IL 0 0 2 7.69

5.753 2 0 0 4 15.39

4.665 6 1 0 2 19.01

4.249 3 1 0 3 20.89

3.839 10 0 0 6 23.15

070 4 1

J. f,\J 42 \

11 0 ^0

2 . 878 21 0 n »0 O X 2.765 95 1 0 7 32 35

2.621 100 1 1 4 34 18

2.550 13 2 0 0 16 2.534 14 2 0 I 40

2 .508 15 0 g 77 2.490 4 2 0 2 36 04

2.420 47 2 0 3 37 12

2 . 336 7 2

11 f,\j 00

9 ^Oi IT n n 1 n jy

2 .232 0£. 0\j J JO

£9 . 1x^t9i f)\j HZ 2.0159 2 2 0 7 44 93

1.9376 5 1 0 11 46 85

1.8145 2 1 1 10 50 24

1.8061 3 2 0 9 50 49

1.7962 2 1 0 12 50 79

1.7221 2 2 1 6 53 14

1.7090 6 2 0 10 53 58

1.6993 8 3 0 0 53 91

1.6629 33 2 1 7 55 19 1.6454 10 0 0 14 55 83

1.6296 22 3 0 4 56 42

1.6182 48 2 0 11 56 85

1.6079 5 1 1 12 57 25

1.6015 10 2 1 8 57 50

1.5667 1 1 0 14 58 90

1.5538 2 3 0 6 59 44

1 5387 IL 2 1 9 60 08

1 5330 6 2 0 12 60 33

1 4715 44 2 2 0 63 13

1 4550 4 2 0 13 63 93

1 4398 2 0 0 16 64 69

1 4264 IL 2 2 4 65 37

1 4180 3 2 1 11 65 81

1 3823 12 2 0 14 67 73

1 3743 1 2 2 6 68 18

1 3598 1 2 1 12 69 01

69
strontium Iron Oxide, SrFei20i9 - (continued)

o d(A) a = ±2

1.3100M 6 2 2 8 72.03

1.3100M 1 0 17 72.03

1 .2990 12 3 1 7 12. Ih

1.2935 2 1 1 16 73. 10

1 .2797 IL 0 0 18 74.02

1.2723M 4 4 0 1 74.52

1 .2723M 3 0 12 74.52

1.2691 4 3 1 8 74.74

1.2572 4 4 0 3 75.57

1.2415 4 1 0 18 76.70

1 .2095 IL 4 0 6 79 . 12 1.2009 IL 2 1 15 79.80

1.1966 IL 2 0 17 80.14

1.1738 4 1 1 18 82.03

1.1519 IL 0 0 20 83.94
Thorium Carbide, ThC

Synonym

Thorium monocarbide

CAS registry no. 12012-16-7

Sample

The sample was obtained from Alfa Products

Thiokol/Ventron Division, Danvers, MA. It contained some semi-amorphous carbon and

was somewhat unstable; therefore the

intensities are subject to some error.

Color

Grey

Structure

Cubic, Fm3m (225), Z = 4. [Wilhelm and

Chiotti, 1950]. ThC has a NaCl type

structure.

Lattice constant of this sample

a = 5.3313(7)A

O CuKa^ k = 1.540598 A; temp

.

25±1 °C

Internal standard Si, a = 5

o 43088 A

o d(A) jrel

hlui 2e(°)

CJ = ±6

3.075 100 1 1 1 29.01

2.666 70 2 0 0 33.59

1.886 60 2 2 0 48.21

1.6071 70 3 1 1 57.28

1.5387 25 2 2 2 60.08

1.3322 12 4 0 0 70.65

1.2232 30 3 3 1 78.06

1.1923 30 4 2 0 80.49

1.0884 25 4 2 2 90.10

1.0260 20 5 1 1 97.32

Volume o 151.53 A^

Density

(calculated) 10.698 g/cm^

Figure of merit

Fio = 58.1(0.017, 10)

Additional pattern

PDF card 15-36 [Kempter and Krikorian,

1962]

References

Kempter, C. P. and Krikorian, N. H. (1962).

J. Less-Common Metals 4, 244.

Wilhelm, H. A., Chiotti, P. (1950). Trans.

Amer. Soc. Metals 42, 1295.

71
Thorium Nitrate Hydrate, Th(N03)4-5H20

Synonym

ThoriJim nitrate pentahydrate

Sample

The sample was obtained from Allied Chemical,

General Chemical Division, New York, NY. It was labeled Th(N03)4'4H20.

Color

Colorless

Structure

Orthorhombic, Fdd2 (43), Z = 8, [Staritsky,

1956]. The structure of Th(N03)4 •5H2O was determined by Taylor at al. [1966] and Ueki

et al. [1966].

Lattice constants of this sample

a = 11.201(2) A

b = 22.896(5)

c = 10.593(2)

a/b = 0.4892

c/b = 0.4627

Volume o 2716.7 A^

Density

(calculated) 2.788 g/cm^

Figure of merit

F30 = 54.7(0.016,35)

Additional pattern

PDF card 9-36 [Staritsky, 1956]

References

Staritsky, E. (1956). Anal. Chem. 28,

2021.

Taylor, J. C, Miller, M. H., and Hitterman,

R. L. (1966). Acta Crystallogr. 20, 842.

Ueki, T., Zalkin, A., and Templeton, D. H. (1966). Acta Crystallogr. 20, 836.

CuKa \ = 1.540598 A; temp. 25±1 °C

Internal standard W, a 3. 16524 A

d(A) jrel hU. 2e(°) a = ±3

7.30 100 1 1 1 12.11

5.73 39 0 4 0 15.45

5.42 58 1 3 1 16.33

5.035 44 2 2 0 17.60

4.810 54 0 2 2 18.43

4.005 3 2 4 0 22.18

3.938 24 1 5 1 22.56

3.852 7 2 0 2 23.07

3.652 1 2 2 2 24.35

3.482 20 3 1 1 25.56

0 d(A) I

cj = ±3

hk£ 2G('')

3.331 12 1 1 3 26.74

3.193M 28 3 3 1 27.92

3.193M 2 4 2 27.92

3-. 156 4 2 6 0 28.25

3.096 31 0 6 2 28.81

3.084 18 1 3 3 28.93

3.012 10 1 7 1 29.64

2.862 5 0 8 0 31.23

2.800 18 4 0 0 31.94

2.793 17 3 5 1 32.02

2.714 10 1 5 3 32.98

2.651 6 0 0 4 33.79

2.550M 11 3 1 3 35.16

2.550M 2 8 0 35.16

2.516 6 4 4 0 35.65

2.431 13 3 3 3 36.95

2.419 23 4 2 2 37.14

2.403 22 0 4 4 37.40

2.397 22 3 7 1 37.49

2.347 20 1 7 3 38.32

2.342 11 2 2 4 38.41

2.297 14 2 8 2 39.19

2.239 5 3 5 3 40.24

2.207 1 2 4 4 40.85

2.181 12 5 1 1 41.37

2. 119 8 2 10 0 42.64

2.106 8 5 3 1 42.92

2.101 10 0 10 2 43.02

2.073 12 1 1 5 43.63

2.061 8 3 9 1 43.90

2.028 21 2 6 4 44.65

2.007 9 1 3 5 45.13

2.002 10 4 8 0 45.27

1.976 7 5 5 1 45.88

1.943 6 0 8 4 46.70

1.924 5 4 0 4 47.20

1.907 2 0 12 0 47.64

1.895 4 1 5 5 47.98

1.885 4 5 1 3 48.23

1.842 6 6 2 0 49.44

1.837+ 9 3 1 5 49.58

1.837+ 2 8 4 49.58

1.822 8 5 7 1 50.02

1.807M 4 3 9 3 50.47

1.807M 2 12 0 50.47

1.792M 7 3 11 1 50.93

1.792M 3 3 5 50.93

1.771 4 1 11 3 51.58

1.761 3 6 0 2 51.89

1.756 4 1 7 5 52.04

72
Titanium Carbide, TiC

CAS registry no.

1 0/\TA AO C 12070-08-5 CuKWj A. = 1.540598

oA; temp

.

25+1 °C

Sample Internal standard W, a — 3. 16525 A

The sample was obtained from Kennamet-al

,

Latrobe , PA, o d(A)

^rel

I atLx, 2e('')

Color CT = ±3

Dark gray

2.499 78 1 1 1 35.90

Structure 2.1637 100 2 0 0 41.71

Cubic, Fm3m (225), Z = 4. The structure of 1.5302 60 2 2 0 60.45

titanium carbide was qualitatively determined 1.3047 30 3 1 1 72.37

by von Schwarz and Summa [1932]. 1.2492 17 2 2 2 76. 14

Lattice constant of this sample 1.0818 10 4 0 0 90.80

a = 4.3274(2) A

.9927

.9677

13

25

34

3210

101.78

105.50

Volume o 81.037 A^

.8834 23 4 2 2 121.38

.8327 16 5 1 1 135.34

Density

(calculated) 4.911 g/cm^

Figure of merit

Fio = 121.6(0.008,10)

Additional pattern

PDF card 6-614 [Cadoff and Nielsen, 1953]

References

Cadoff, I. and Nielsen, J. P. (1953). Trans.

AIME 197, 248.

Schwarz, von, M. and Summa, 0. (1932). Z. Elektrochem. 38, 743.

73
Tungsten Oxide, WO2 j

Synonym

Tungsten dioxide

CAS registry no. 12036-22-5

Sample

The sample was made at NBS by H. S. Parker

by heating WO3 in a W boat for 20 hours

at 372 °C in an atmosphere of 95% N2 and

5% H2 gas. This was followed by heating

at 590 °C for 90 hours under the same conditions

.

Color

Dark brown

Structure

Monoclinic, P2i/n (14), Z = 4. Distorted

rutile structure. The structure was studied

by Magneli et al. [1952] and by Magneli and

Andersson [1955]. The structure was discussed by Roger et al. [1969].

Lattice constants of this sample

a = 5.5754(7) A

b = 4.8995(12)

c = 5.5608(9)

P = 118.869(12)°

a/b = 1.1380

c/b = 1.1350

Volume o 133.03 A^

Density

(calculated) 10.78 g/cm^

Figure of merit

F30 - 28.8(0.016,67)

Additional pattern

PDF card 5-431 [Magneli et al., Univ. of

Uppsala, Sweden]

References

Magneli, A. and Andersson, G. (1955). Acta

Chem. Scand. 9, 1378.

Magneli, A., Andersson, G. , Blomberg, B.,

and Kihlborg, L. (1952). Anal. Chem. 24,

1998.

Roger, D. B. , Shannon, R. D., Sleight, A. W.

,

and Gillson, J. L. (1969). Inorg. Chem. 8,

841.

0 CuKa^ K = 1.540598 A; temp. 25±1 °C

Internal standard Si, a = 5

0 43088 A

0 d(A)

rel

I hkJ6 2e(°)

0 = ±3

4.795 1 -1 0 1 18.49

3.452 100 0 1 1 25.79

2.831 2 1 0 1 31.58

2.449M 20 1 1 1 36.66

2.449M 0 U 36.66

2.442 30 2 0 0 36.77

2.437 27 0 0 2 36.86

2.423 34 -2 1 1 37.07

2.398 17 -2 0 2 37.48

2. 184 2 2 1

r\U 41.30

2.154 1 -2 1 2 41.91

1.853 2 1 2 1 49.13

1.833 3 -3 0 1 49.70

1.7324M 18 2 1 1 52.80

1.7324M 1 1 2 52.80

1.7282 31 2 2 0 52.94

1.7167 14 -3 1 1 53.32

1.7123M 10 -2 2 2 53.47

1.7123M -1 1 3 53.47

1.5987 1 -3 0 3 57.61

1.5481M 10 1 3 0 59.68

1.5481M 0 3 1 59.68

1.5448 10 3 1 0 59.82

1 .5408 10 0 1 59.99

1.4670 2 -3 2 1 63.35

1.4157 3 2 0 2 65.93

1.4094 5 -2 3 1 66.26

1.3934 4 -4 0 2 67.12

1 .3900 5 -2 U 67.31

1.3588 1 3 0 1 69.07

1.3388 1 -3 2 3 70.25

1.2993 2 -4 1 1 72.72

1.2856 3 -4 1 3 73.62

1.2251+ 5 2 J 1 77 .92

1.2251+ 0 4 0 77.92

1.2171 2 0 0 4 78.53

1.2140 3 -2 3 3 78. 77

1 .2109 3 -4 2 2 79.01

1.2087 3 -2 2 4 79.18

1.1982 2 -4 0 4 80.01

1.1879M 2 1 4 0 80.85

1.1879M 0 4 1 80.85

1.1529 2 3 3 0 83.85

1.1513 5 0 3 3 83.99

74
Uranium Nitride, UN

Synonym

Uranium mononitride

CAS registry no. 25658-43-9

Sample

The sample was obtained from the Battelle

Memorial Institute, Columbus, OH.

Color

Dark gray

Structure

Cubic, Fm3m (225), 2=4. The structure was determined by Rundle et al. [1948] and con- firmed by Mueller and Knott [1958].

Lattice constant of this sample

a = 4.8897(2) A

Volume o 116.91 A^

Density

(calculated) 14.318 g/cm^

Figure of merit

= 93.2(0.011,13)

Additional patterns

PDF card 11-315 [Mueller and Knott, Argonne

National Laboratory, Lemont, XL]

Kempter et al. [1959]

O CuKHj X = 1.540598 A; temp. 25±1 °C

Internal standard W, a = 3.

o 16524 A

o d(A) jrel , 2e(°) a = ±3

2.825 100 1 1 1 31.65

2.445 82 2 0 0 36.72

1.7291 52 2 2 0 52.91

1.4749 58 3 1 1 62.97

1.4119 18 2

OZoZ 66.13

1.2224 11 4 0 0 78.12

1.1219 22 3 3 1 86.72

1.0935 25 4 2 0 89.57

.9981 19 4 2 2 101.02

.9410 22 5 1 1 109.89

.8644 8 4 4 0 126.04

.8265 26 5 3 1 137.50

.8149 20 6 0 0 141.90

References

Kempter, C. P., McGuire, J. C, and

Nadler, M. R. (1959). Anal. Chem. 31, 156.

Mueller, M. H. and Knott, H. W. (1958). Acta

Crystallogr. 11, 751.

Rundle, R. E., Baenziger, N. C, Wilson, A. S.,

and McDonald, R. A., (1948). J. Amer. Chem.

Soc. 70, 98.

75
Uranyl Acetate Hydrate, C4H606U-2H20

Synonym

Uranyl acetate dihydrate

CAS registry no. 20154-66-9

Sample

The sample was obtained from the J. T. Baker

Chemical Co., Phillipsburg, NJ.

Color

Bright greenish yellow

Structure

Orthorhombic, Pna2i (33), Z = 4. [Mentzen and

Giorgio, 1970] [Amirthalingham et al., 1959]

lattice constants of this sample

a = 9.630(2) A

b = 14.883(2)

c = 6.823(2)

a/b = 0.6470

c/b = 0.4584

Volume o 977.91 A^

Density

(calculated) 2.881 g/cm^

Figure of merit

F30 = 38.7(0.016,49)

Additional patterns

PDF card 14-744 [Hanawalt et al., 1938]

PDF card 23-714 [Mentzen and Giorgio, 1970]

References

Amirthalingham, V., Chandran, 0. V., and

Padmanabham, V. M. (1959). Acta Crystallogr.

12, 821.

Hanawalt, J. D. , Rinn, H. W. , and Frevel, 1. K. (1938). Ind. Eng. Chem. Anal. Ed. 10, 457.

Mentzen, B. and Giorgio, G. (1970). J. Inorg.

Nucl. Chem. 32, 1509.

0 CuKHj a. = 1.540598 A; temp. 25±1 °C

Internal standard Ag, a = 4 08651 A

d(A) jrel hk£ 2e(°)

CT = ±6

8.09 63 1 1 0 10.93

7.44 15 0 2 0 11.89

6.22 94 0 1 1 14.22

5.90 65 1 2 0 15.01

5.221 22 1 1 1 16.97

4.581 100 2 1 0 19.36

4.462 47 1 2 1 19.88

4.412 31 1 3 0 20.11

3.936 60 2 0 1 22.57

3.805 3 2 1 1 23.36

0 d(A) T^el

CT = ±6

hk£ 2e('')

3.706 43 1 3 1 23.99

3.470 22 1 4 0 25.65

3.456 18 2 3 0 25.76

3.410 37 0 0 2 26.11

3.140M 13 1 1 2 28.40

3. 140M 3 1 0 28.40

3.092 9 1 4 1 28.85

2.949M 24 1 2 2 30.28

2.949M 3 2 0 30.28

2.852 7 3 1 1 31.34

2.845 7 1 5 0 31 .42

2.737 28 2 1 2 32.69

2.727 30 0 5 1 32.81

2.703 31 2 4 1 33.12

2.698M 28 1 3 2 33.18

2.698M 3 3 0 33. 18

2.606 IL 2 2 2 34.39

2.532 21 2 5 0 35.43

2.510 17 3 3 1 35 . 75 2.481 9 0 6 0 36.17

2.430 11 3 4 0 36.96

2.408 38 4 0 0 37.32

2.374M IL 4 1 0 37.86

2.374M 2 5 1 37.86

2.292 3 4 2 0 39.28

2.265 9 1 6 1 39.77

2.245 20 4 1 1 40.14

2 . 230M 10 3 2 2 40.42

2.230M 2 4 2 40.42

2.189 7 1 1 3 41.20

2 . 122 15 1 2 3 42.57

2.099 11 2 6 1 43.07

2.076 9 1 7 0 43.56

2.057 10 2 0 3 43.99

2.031 13 0 7 1 44.58

2.020 19 1 3 3 44.83

2.006 10 0 6 2 45.16

1.986 8 1 7 1 45.65

1.980 14 3 4 2 45.80

1.963M 14 1 6 2 46.20

1.963M 3 6 0 46.20

1.910 5 5 1 0 47.58

1.865 11 5 2 0 48.78

1.860 4 0 8 0 48.92

1.841 4 3 1 3 49.47

1.826 3 1 8 0 49.90

14 /.H

cD 1 DO .D'f

1 . 800M 17 3 2 3 50.68

1 . 800M 2 4 3 50.68

1.796 17 5 3 0 50.79
Yttrium, Y

CAS registry no. 7440-65-5

Sample

The sample was obtained from the United

Mineral and Chemical Corp., New York, NY. The part used was filed off with a file

cleaned by dipping it for 10 seconds in a nitric acid solution.

Color

Dark gray

Structure

Hexagonal, Pbs/mmc (194), Z = 2. The

structure was done by Bommer [1939].

Lattice constants of this sample

a = 3.6471(3) A

c = 5.7285(6)

c/a = 1.5707

Volume o 65.988 A3

Density

(calculated) 4.474 g/cm^

Figure of merit

T21 = 89.6(0.011,22)

Additional pattern

PDF card 12-702 [U.S. Bureau of Mines,

Albany, OR].

Reference

Bommer, H. (1939). Z. Elektrochem. 45, 357.

0 CuKa^ A, = 1 540598 A; temp

.

25±1 °C

Interna] standard Ag, a = 4

0 08651 A

0 d(A) jrel hk£ 2e(°)

0 ~ ±1

3.159 26 1 0 0 28.23

25 0 0 2

£. • 1 OD 100 1 0 1

'59 '^'^ 12 11 0 2 HZ . JO

14 J. 1 0

1.6338 12 1 0 3 56.26

2 2 0 0 R ft '37 Do . J / 14 1 1 2 AnOU 1 9 . iZ

11 0 0 1 An 7 7

i . *+ jZJ 2 U 0 4

At; 00 r»7 . u /

1.3831 2

0 0 2 67.69

± . jut

1

2 1 0 4 79/ z . Alm

1 9171 3 2 0 3 7ft c:

1 1 Q'^V 1 2 1 0 oU . JO

1 1 ftk'^ 5 2 1 1 oZft 9 Aft . 'to

1.1262 3 1 1 4 86.31

1. 1019 1 2 1 2 88.70

1 .0770 2 1 0 5 91.32

1.0610 1 2 0 4 93.10

1.0529 1 3 0 0 94.04

1.0121 3 2 1 3 99.12

77
Zinc Acetate Hydrate, C4H604Zn-2H20

Synonym

Zinc acetate dihydrate

CAS registry no. 5970-45-6

Sample

The sample was obtained from J. T. Baker

Chemical Co., Phillipsburg, NJ.

Color

Colorless

Optical data

Biaxial (+) , N = 1.49, N„ = 1.490, N = 1.556.

a 6 Y 2V is large "

Structure

Monoclinic, C2/c (15), Z = 4. (Whitney and

Corvin, 1949]. The structure was determined

by Van Niekerk et al. [1953].

Lattice constants of this sample

a = 14.431(5) A

b = 5.340(3)

c = 10.981(4)

P = 99.88(3)°

a/b = 2.7024

c/b = 2.0564

Volume o 833.6 A^

Density

(calculated) 1.749 g/cm^

Figure of merit

F30 - 28.4(0.014,74)

Additional pattern

PDF card 14-902 [Whitney and Corvin, 1949]

Mislabeled Zn(C2H302) •2H2O

References

Van Niekerk, J. N. , Schoening, F. R. L. , and

Talbot, J. H. (1953). Acta Crystallogr. 6,

720.

Whitney, J. and Corvin, I. (1949). Anal. Chem.

21, 645.

0 CuKa^ \ = 1 540598 A; temp. 25±1 °C

Internal standard W, a — A

d(A) jrel hk£ 2e(°)

G — Z.Z

7.10 100 2 U

AU 12.46

5.411 Z 0

A

U

9z 16.37

5.004 0 1 X Au 17.71

4. 714 Q0 -2 0 2 18.81

4.645 Q -1 1 1 19.09

4.436 23 1 X X 20.00

3.987 Z9 11 2

Au Z9 22.28

3.789 1lUn -1 1X Z9 23.46

3.545 3 1 0 25. 10

3.245 zu 3 1 1 27 .46

3.158 7 -3 X z9 28.24

2.846 01 X QJ 31.41

2.805 1 3 X 9Z 31.88

2.688 A -2 0 4 33.30

2.509 0£. 5 1 0 35.76

2.421 4 -5 X Z9 37.10

2.403 2 Z9 X 37.39

2.366 A 5

1X1X 38.00

2.296 0Z -3 1 4 39.21

2 . 223 11 -5 1 3 40 .54

2.155 4 5 X Z9 41.89

2. 137 q -4 Z9 1X 42.25

2.054 A 4 Z9 X 44.06

2.030 1 1 -1 1 5 44.59

1.997M 4 2 2 3 45.38

1.997M -5 1X AH- 45.38

1 .961 2 -3 X CJ 46.26

1.924 2 -7 1 1 47 . 20

1 .8203 1 7 1 X 50 . 07

1.8038M 2 -7 1 3 50.56

1.8038M 0 0 6 50.56

1.7827 1 2 2 4 51.20

1.7600 1 4 2 3 51.91

1.7135 2 6 2 1 53.43

78
Synonym

Zirconium tetrafluoride

CAS registry no. 7783-64-4

Zircomum Fluoride, Zrf^

, Thiokol/

CuKa. \ = 1.540598 A; temp. 25±1 °C

1 o Internal standard Ag, a = 4.08651 A

d(A)

,rel hk£ 2e(°)

±3

Sample

The sample was from Alfa Products

Ventron Division, Danvers, MA. It was heated

to 300 °C for 3 days to dehydrate a small

amount of the hydrate which was present.

Color

Colorless

Structure

Monoclinic, I2/a (15), Z = 12 [Schulze,

1934, Zachariasen, 1949]. The structure was determined by Burbank and Bensey [1956].

Lattice constants of this sample

a = 9.5585(13) A

b = 9.9512(13)

c = 7.7071(14)

P = 94.520(1)°

a/b = 0.9605

c/b = 0.7745

Volume o 730.81 A^

Density

(calculated) 4.559 g/cm^

Polymorphism

Gaudreau [1965] prepared two other forms of

ZrF4 by heating (^4)3 ZrFy under various con- ditions. These forms were called alpha and

gamma. Gaudreau called the form reported in

the present work beta.

Figure of merit

F30 = 74.9(0.010,40)

Additional patterns

PDF card 17-926 [Burbank and Bensey, 1956]

Amirthalirgam and Muralidharan [1964]

Brunton [1965]

References

Amirthalirgam, V. and Muralidharan, K. V. (1964). J. Inorg. Nucl. Chem. 26, 2038.

Brunton, G. (1965). J. Inorg. Nucl. Chem. 27,

1173.

Burbank, R. D. and Bensey, F. N. (1956). AEC

Report K1280.

Gaudreau, B. (1965). Rev. Chim. Miner. 2, 1.

Schulze, G. E. R. (1934). Z. Kristallogr.

Kristallgeometrie Kristallphys . Kristallchem. 89, 477.

6 88 18 1 1 0 12 86

6 083 12 0 1 1 14 55

4 971 3 0 2 0 17 83

4 762 15 2 0 0 18 62

3 889 94 -1 2 1 22 85

3 875 100 -2 1 1 22 93

3 842 12 0 0 2 23 13

3 641 55 2 1 1 24 43

3 441M 99 2 2 0 25 87

3 441M -1 1 2 25 87

3 276 36 1 1 2 27 20

3 133 7 1 3 0 28 47

3 112 17 -2 0 2 28 66

3 043M 38 0 3 1 29 33

3 043M 0 2 2 29 33

3 025 25 3 1 0 29 50

2 638 IL -2 2 2 33 95

2 582 3 -3 2 1 34 71

2 530 2 2 3 1 35 45

2 494 5 2 2 2 35 98

2 479M 5 0 1 3 36 21

2 479M 3 2 1 36 21

2 470 3 -3 1 2 36 35

2 461 2 -1 3 2 36 48

2 382 2 4 0 0 37 74

2 310 1 -1 4 1 38 96

2 29 4M IL 3 1 2 39 24

2 294M 3 3 0 39 24

2 284 IL 1 4 1 39 42

2 272 IL -2 1 3 39 64

2 267 IL -4 1 1 39 73

2 251 IL -1 2 3 40 02

2 205 1 2 4 0 40 90

2 1722 1 4 1 1 41 54

2 1344 2 2 1 3 42 31

2 0994 1 -4 0 2 43 05

2 0883 1 0 4 2 43 29

2 0266 3 0 3 3 44 68

2 0218 4 -3 3 2 44 79

1 9566 13 4 0 2 46 37

1 9482 8 1 5 0 46 58

1 9423 8 -2 4 2 46 73

1 9349 16 -4 2 2 46 92

1 9264 12 0 5 1 47 14

1 9199M 34 0 0 4 47 31

Zachariasen, W. H. (1949). Acta Crystallogr.

2, 388.

79
Zirconium Fluoride, ZrF4 - (continued)

o d(A) I a = ±3

hkl 2e(°)

1.9199M -3 4 1 47.31

1.9085 29 -2 3 3 47.61

1.8824 5 2 4 2 48.31

1.8715 14 5 1 0 48.61

1.8483 21 4 3 1 49.26

1.8316 12 -2 0 4 49.74

1.8258 10 2 3 3 49.91

1.7919M 41 3 2 3 50.92

1.7919M 0 2 4 50.92

1.7873 26 -4 1 3 51.06

1.7740 18 2 5 1 51.47

1.7625 7 -5 2 1 51.83

1.7484 20 -1 5 2 52.28

1.7367M 16 1 4 3 52.66

1.7367M -5 1 2 52.66

1.7206 2 4 4 0 53. 19 1.7064 5 5 2 1 53.67

1.6872 IL 3 5 0 54.33

1.6801 6 -3 1 4 54.58

1.6588 4 0 6 0 55.34

1.6527 5 5 3 0 55.56
Zirconium Oxide Chloride Hydrate, ZrOCl2-8H20

Synonym

Zirconium oxychloride octahydrate

Sample

The sample was made by slow evaporation at room temperature of an aqueous solution of

ZrOClaColor

Colorless

Structure

Tetragonal, P42iC (114), 2=8. [Clearfield

and Vaughan, 1956]. The structure was refined

by Mak [1968]

.

Lattice constants of this sample

a = 17.094(3) A

c = 7.713(2)

c/a = 0.4512

Volume

2253.8

Density

(calculated) 1.899 g/cm^

Figure of merit

F30 = 35.2(0.015,58)

Reference intensity

I/I , = 1.22(12) corundum

Additional pattern

PDF card 21-1499 [Dept. of Physics, University

College, Cardiff, Wales]

References

Clearfield, A. and Vaughan, P. A. (1956).

Acta Crystallogr. 9, 555.

Mak, T. C. W. (1968). Can. J. Chem. 46, 3491.

0 CuKa^ A. = 1.540598 A; temp

.

25±1 °C

Internal standard Ag, a = 4 08651 A

d(A) jrel hkH 2e(°)

0 = ±4

12.10 100 1 1 0 7.30

8.53 15 2 0 0 10.36

7.66 4 2 1 0 11.55

7.03 65 1 0 1 12.58

6.05 10 2 2 0 14.63

5.417 11 3 1 0 16.35

4.739 1 3 2 0 18.71

4.429 7 3 1 1 20.03

4.141 8 4 1 0 21.44

4.028 52 3 3 0 22.05

0 rel

X

CT = ±4

hlrO

1 L \j n1/ 0£. 3.828 12 4 2 0 23.22

3.679 17 1 1 2 24.17

3.423M 27 4 2 1 26.01

3.423M 4 3 0 26.01

A CD X u 3.192 10 3 0 2 27.93

3.173 21 5 2 0 28.10

3.126 43 4 3 1 28.53

3.021 11 4 4 0 29.54

1 f\ cJ Z9 1 jU'>.C\

. A9HZ 2.848 9 6 0 0 31.39

2.810 3 6 1 0 31.82

2.740 10 5 3 1 32.65

2.672M 1 6 0 1 33.51

9 A79M CD

A*+ 2.641 2 6 1 1 33.91

2.558 7 4 3 2 35.05

2.547 5 6 3 0 35.21

2.525 5 5 4 1 35.53

2.451 4 .J 0i. JO . OH

2.419M 3 6 3 1 37.14

2.419M 7 1 0 37.14

2.378 5 4 4 2 37.80

2.345 5 3 0 3 38.36

£. ' JZ / 7 7 1 JO . 00

2.321 8 3 1 3 38.76

2.291 4 6 0 2 39.30

2.267 9 6 4 1 39.73

2.259 13 3 2 3 39.88

9 9A*^M 7 Z9 i . X J 2.245M 7 3 0 40.13

2.205 5 4 0 3 40.90

2.189 6 6 5 0 41.21

2.155 2 7 3 1 41.88

9 1 xu 9Z J/.9 fz "^A . jH

2.124 12 6 3 2 42.52

2.119 12 7 4 0 42.63

2.053 13 4 3 3 44.07

2.047 16 5 5 2 44.20

z9 D D LL OR

2.007 6 7 2 2 45.14

2.000 6 8 3 0 45.30

1.987 5 7 5 0 45.62

1.933 9 5 3 3 46.98

1.925 8 7 5 1 47.17

1.854 8 7 6 0 49.10

1.834 3 9 1 1 49.66

1.811 8 8 5 0 50.34

81
CUMULATIVE INDEX TO CIRCULAR 539, VOLUMES 1-10

INORGANIC

Vol. or

Sec. Page

Aluminum, Al 1 11 Aluminum antimony, AlSb 4 72

Aluminum bismuth oxide, Al4Bi209 .... 11m 5 Aluminum borate, AI18B4O33 17m 5 Aluminum chloride, AICI3 9m 61

Aluminum chloride hydrate

(chloraluminite) , AlCla-eHgO 7 3 Aluminum copper, AI4CU9 11m 79

Aluminum fluoride hydroxide silicate,

topaz, Al2(F,0H)2Si04 Im 4 Aluminum iron, AlFe 18m 5 Aluminum iron antimony oxide, bahianite,

AI5. 66^60. 09Sb2.950l6 I6m 87

Aluminum iron oxide, AlFeOs 15m 7 Aluminum lithium, Al4Li9 10m 98

Aluminum nickel, AlNi 6m 82

Aluminum nitride, AIN 12m 5 Aluminum nitrate hydrate,

A1(N03)3-9H20 11m 6

Aluminum oxide (corundum), a-Al203 ..9 3 Aluminum oxide hydrate (boehmite),

a-AlzOs-HzO 3 38

Aluminum oxide hydrate, diaspora,

p-AlzOa-HzO 3 41

Aluminum phosphate, A1(P03)3 2m 3 Aluminum phosphate (berlinite),

AIPO4 (trigonal) 10 3 Aluminum phosphate, AIPO4

(orthorhombic) 10 4 Aluminum plutonium, AI3PU 15m 77 Aluminum rhenium, AlRe 15m 79 Aluminum rhenium, AI12RS 15m 80

Aluminum rhodium, AlRh 15m 82

Aluminum ruthenium, AlRu 15m 83

Aluminum ruthenium, AlgRu 15m 84

Aluminum samarium, AlSm2 15m 86

Aluminum samarium, AlSm3 15m 88

Aluminum samarium, Al2Sm 15m 90

Aluminum samarium, Al3Sm 15m 91

Aluminum silicate (mullite),

Al6Si20i3 3m 3 Aluminum sulfate, AI2 (804)3 15m 8 Aluminum technetium, AlgTc 15m 93

Aluminum terbium, Al2Tb 15m 95

Aluminum terbium, Al2Tb3 15m 96

Aluminum thorium uranium, AlgThU .... 15m 98

Aluminum tungsten, AI5W, 6-phase .... 15m 100

Aluminum tungsten oxide, Al2(W04)3 .. 11m 7 Aluminum vanadium, Aljo^ 15m 102

Aluminum vanadium, AI10.25V 15m 104

Aluminum vanadium, AI23V4 15m 106

Aluminum vanadium, AI45V7, a '-phase . 15m 108

Aluminum ytterbium, Al2Yb 15m 111

Aluminum yttrium, AI3Y 15m 112

Further work on this program is in progress,

and it is anticipated that additional sections

will be issued. Therefore, the cumulative index

here is not necessarily the concluding index

for the project.

m - Monograph 25. A mineral name in ( ) indicates a synthetic

sample

.

and MONOGRAPH 25, SECTIONS 1-18, inclusive.

NAMES

Vol. or

Sec. Page

Ammonium aluminum fluoride,

(NH4)3A1F6 9m 5 Ammonium aluminum selenate hydrate,

NH4Al(Se04)2-12H20 9m 6 Ammonium aluminum sulfate,

NH4A1(S04)2 10m 5 Ammonium aluminum sulfate hydrate

(tschermigite), NH4A1(S04)2 •I2H2O 6 3 Ammonium azide, NH4N3 9 4 Ammonium beryllium fluoride,

(NH4)2BeF4 3m 5 Ammonium borate hydrate,

NH4B508-4H20 17m 7 Ammonium boron fluoride, NH4BF4 ... 3m 6 Ammonium bromide, NH4Br 2 49

Ammonium cadmium bromide, (NH4)4CdBr6 15m 9 Ammonium cadmium chloride, NH4CdCl3 5m 6 Ammonium cadmium sulfate,

(NH4)2Cd2(S04)3 7m 5 Ammonium cadmium sulfate hydrate, . (NH4)2Cd(S04)2-6H20 8m 5 Ammonium calcium sulfate,

(NH4)2Ca2(S04)3 8m 7 Ammonium cerium nitrate,

(NH4)2Ce(N03)6 18m 6 Ammonium chlorate, NH4CIO4

(orthorhombic) 7 6 Ammonium chloride (salammoniac)

,

NH4CI 1 59

Ammonium chromium sulfate hydrate,

NH4Cr(S04)2-12H20 6 7 Ammonium cobalt (II) chloride,

NH4C0CI3 6m 5 Ammonium cobalt fluoride, NH4C0F3 8m 9 Ammoniiun copper bromide hydrate,

(NH4)2CuBr4-2H20 10m 6 Ammonium copper chloride, NH4CUCI3 7m 7 Ammonium copper chloride hydrate,

(NH4)2CuCl4-2H20 12m 6 Ammonium copper fluoride, NH4CUF3 11m 8 Ammonium gallium sulfate hydrate,

NH4Ga(S04)2-12H20 6 9 Ammonium germanium fluoride,

(NH4)2GeF6 6 8 Ammonium hydrogen arsenate,

NH4H2ASO4 16m 9 Ammonium hydrogen carbonate

(teschemacherite) , (NH4)HC03 9 5 Ammonium hydrogen phosphate,

NH4H2PO4 4 64

Ammonium iodate, NH4IO3 10m 7 Ammonium iodide, NH4I 4 56

Ammonium iridium chloride,

(NH4)2lrCl6 8 6 Ammonium iron chloride hydrate,

(NH4)2FeCl5-H20 I4m 7 Ammonium iron fluoride, (NH4)3FeF6 9m 9 Ammonium iron sulfate, NH4Fe (804)2 10"" ^ Ammonium iron sulfate hydrate,

NH4Fe(S04)2-12H20 6 10 Ammonium lead chloride, (NH4)2PbCl6 Hm 10 Ammonium magnesium aluminum fluoride,

NH4MgAlF6 lOm 9

82
Vol. or

Sec. Page

Ammonium magnesium chromium oxide

hydrate, (NH4)2Mg(Cr04)2 -eHaO 8m 10

Ammonium magnesium phosphate hydrate

(struvite), NH4MgP04 •6H2O 3m 41

Ammonium manganese chloride hydrate,

(NH4)2MnCl4'2H20 11m 11 Ammonium manganese(II) fluoride,

NH4MnI'3 5m 8 Ammonium manganese sulfate,

(NH4)2Mn2(S04)3 7m 8 Ammonium manganese sulfate hydrate,

(NH4)2Mn(S04)2'6H20 8m 12 Ammonium mercury chloride, NH4HgCl3 8m 14

Ammonium molybdenum oxide phosphate

hydrate, (NH4)3(Mo03)i2P04-4H20 .. 8 10

Ammonium nickel(II) chloride,

NH4NiCl3 6m 6 Ammonium nickel chromium oxide

hydrate, (NH4)2Ni(Cr04)2-6H20 8m 16

Ammonium nickel sulfate hydrate,

(NH4)2Ni(S04)2-6H20 17m 9 Ammonium nitrate (nitrammite)

,

NH4NO3 7 4

Ammonium osmium bromide, (NH4)20sBr6 3 71 Ammonium osmium chloride,

(NH4)20sCl6 Im 6

Ammonium palladium chloride,

(NH4)2PdCl4 6 6 Ammonium palladium chloride,

(NH4)2PdCl6 8 7 Ammonium platinum bromide,

(NH4)2PtBr6 9 6 Ammonium platinum chloride,

(M4)2PtCl6 5 3

Ammonium potassium iron chloride

hydrate (kremersite)

,

(NH4,K)2FeCl5-H20 14m 8 Ammonium rhenium oxide , NH4Re04 ... 9 7 Ammonium selenium bromide,

(NH4)2SeBr6 8 4

Ammonium silicon fluoride

(cryptohalite) , (NH4)2SiF6 5 5 Ammonium strontium chromium oxide,

(NH4)2Sr(Cr04)2 I4m 9 Ammonium strontium sulfate,

(NH4)2Sr(S04)2 15m 11 Ammonium sulfate (mascagnite)

,

(NH4)2S04 9 8

Ammonium sulfate, (^4)28203 17m 11 Ammonium sulfate, (1014)28208 17m 13

Ammonium tellurium bromide,

(NH4)2TeBr6 8 5 Ammonium tellurium chloride,

(NH4)2TeCl6 8 8 Ammonium tin chloride, (NH4)2SnCl6 5 4 Ammonium tin fluoride, NH4SnI'3 .... 18m 8 Ammonium titanium fluoride,

(NH4)2Tir6 16m 10

Ammonium vanadium oxide, NH4VO3 ... 8 9 Ammonium zinc chloride, (NH4)3ZnCl5 15m 12 Ammonium zinc fluoride, NH4ZnF3 ... 8m 18

Ammonium zirconium fluoride,

(NH4)3ZrF7 6 14 Antimony cobalt, CoSb 15m 121

Vol. or

Sec. Page

Antimony cobalt, CoSb2 15m 122

Antimony cobalt, CoSb2 15m 122

Antimony cobalt titanium, CoSbTi . . 15m 124

Antimony cobalt vanadium, CoSbV . . . 15m 125

Antimony dysprosium, DySb 4m 41 Antimony erbium, ErSb 4m 41

Antimony(III) fluoride, SbFs 2m 4 Antimony gadolinium, GdSb 4m 42

Antimony gallium, GaSb 6 30

Antimony gold (aurostibite) , AuSb2 7 18

Antimony indium, InSb 4 73

Antimony(III) iodide, Sbl3 6 16

Antimony iron titanium oxide

hydroxide, derbylite,

SbFe4Ti30i3(0H) I6m 89

Antimony lanthanum, LaSb 4m 42

Antimony neodymium, NdSb 4m 43

Antimony(III) oxide (senarmontite)

,

Sb203 (cubic) 3 31

Antimony (III) oxide, valentinite,

Sb203 (orthorhombic) 10 6 Antimony(IV) oxide (cervantite)

,

Sb204 10 8 Antimony oxide, SbgOis 16m 14

Antimony praseodymium, PrSb 4m 43

Antimony scandium, SbSc 4m 44

Antimony selenide, Sb2Se3 3m 7 Antimony silver sulfide, AgSbS2

(cubic) 5m 48

Antimony silver sulfide (miargyrite)

,

AgSbS2 (monoclinic) 5m 49

Antimony silver sulfide (pyrargyrite)

,

AgsSbSg (trigonal) 5m 51

Antimony silver telluride, AgSbTe2 3m 47

Antimony(IIl) sulfide (stibnite),

Sb2S3 5 6 Antimony telluride, Sb2Te3 3m 8 Antimony terbium, SbTb 5m 61

Antimony thorium, SbTh 4m 44

Antimony thulium, SbTm 4m 45

Antimony tin, SbSn I6m 15 Antimony ytterbium, SbYb 4ra 45

Antimony yttrium, SbY 4m 46

Arsenic, As 3 6

Arsenic bromide, AsBr3 18m 9 Arsenic cerium, AsCe 4m 51

Arsenic(lII) iodide, ASI3 13m 7 Arsenic oxide (arsenolite)

,

AS2O3 (cubic) 1 51

Arsenic oxide, claudetite, AS2O3

(monoclinic) 3m 9 Barium, Ba 4 7 Barium aluminum oxide, BaAl204 .... 5m 11 Barium aluminum oxide, Ba3Al206 ..- 12m 7 Barium aluminum titanium oxide,

Bai.23Al2.46Ti5.540i6 ISm 10 Barium arsenate, Ba3(As04)2 2m 6

Barium borate, BaB407 4m 6

Barium borate, high form, BaB204 .. 4m 4 Barium borate, BaBgOjs 7m 10

Barium bromate hydrate,

Ba(Br03)2-H20 8m 19 Barium bromide, BaBr2 10m 63

Barium bromide fluoride, BaBrF .... 10m 10

Barium bromide hydrate, BaBr2'H20 3m 10

83
Vol. or

Sec. Page

Vol. or

Sec. Page

Barium bromide hydrate, BaBr2*2H20 16m 16 Barium cadmium chloride hydrate,

BaCdCl4-4H20 15m 14

Barium calcium nitrate,

Ba^25Ca.75(N03)2 12m 38

Barium calcium nitrate,

Ba,5oCa.so(N03)2 12m 38

Barium calcium nitrate,

Ba.75Ca.25(N03)2 12m 38

Barium calcium tungsten oxide,

Ba2CaW06 9m 10

Barium carbonate (witherite), BaCOs

(orthorhombic) 2 54

Barium carbonate, BaCOs (cubic)

at 1075 °C 10 11 Barium chlorate, Ba(C103)2 I6m 17 Barium chlorate hydrate,

Ba(C103)2-H20 8m 21

Barium chlorate hydrate,

Ba(C104)2-3H20 2m 7 Barium chloride, BaCl2, (cubic) ... 9m 13

Barium chloride, BaCl2,

(orthorhombic) 9m 11 Barium chloride fluoride, BaClF ... 10m 11 Barium chloride hydrate, BaCl2*2H20 12m 9 Barium chromium oxide,

Ba3(Cr04)2 15m 16

Barium fluoride, BaF2 1 70

Barium hydroxide phosphate,

Ba5(0H)(P04)3 11m 12 Barium iodide, Bal2 10m 66

Barium iodide hydrate, Bal2-2H20 .. I6m 18

Barium lead chloride, BaPbCl4 11m 13

Barium lead nitrate,

Ba,33Pb_67(N03)2 12m 40

Barium lead nitrate,

Ba.67Pb.33(N03)2 12m 40

Barium manganese oxide, BaMn04 .... 18m 11 Barium manganese oxide,

Ba(Mn04)2 15m 17 Barium molybdenum oxide, BaMo04 ... 7 7 Barium molybdenum oxide, Ba2Mo05 .. 12m 10 Barium neodymium titanium oxide,

BaNd2Ti30io 18m 12 Barium nitrate (nitrobarite)

,

Ba(N03)2 llm 14

Barium nitrite hydrate,

Ba(N02)2-H20 15m 18

Barium oxide, BaO 9m 63

Barium oxide, Ba02 6 18

Barium phosphate, Ba2P207,

(high form) I6m 19 Barium phosphate, Ba3(P04)2 12m 12 Barium selenide, BaSe 5m 61

Barium silicate, p-BaSiOs 13m 8

Barium silicate (sanbornite)

,

p-BaSi205 13m 10

Barium silicate, Ba2Si04 13m 12

Barium silicate, Ba2Si30g 13m 13

Barium silicate, Ba3Si05 13m 15

Barium silicate, Ba3Si50i3 13m 17 Barium silicon fluoride, BaSiFg ... 4m 7 Barium strontium nitrate,

Ba,25Sr,75(N03)2 12m 42

Barium strontium nitrate,

Ba.5oSr,5o(N03)2 12m 42

Barium strontium nitrate,

Ba^vsSr. 25(1*03)2 12m 42

Barium sulfate (baryte) , BaS04 10m 12 Barium sulfide, BaS 7 8

Barium thiosulfate hydrate,

BaS203'H20 16m 20

Barium tin oxide, BaSn03 3m 11 Barium titanium oxide, BaTiOs 3 45

Barium titanium silicate (fresnoite),

Ba2TiSi208 9m 14 Barium tungsten oxide, BaW04 7 9 Barium tungsten oxide, Ba2W05 12m 14

Barium vanadium oxide, Ba3(V04)2 •• 14m 10

Barium zirconium oxide, BaZrOs .... 5 8 Beryllium, alpha. Be 9m 64

Beryllium aluminum oxide

(chrysoberyl) , BeAl204 9 10

Beryllium aluminum silicate, beryl,

Be3Al2(Si03)6 9 13

Beryllium calcium iron magnesium

aluminum phosphate hydroxide

hydrate, roscherite (monoclinic)

,

Be2Ca(Fe.3Mg.7)2A1.67(P04)3(0H)3-2H20 I6m 96

Beryllium calcium manganese

aluminum iron phosphate hydroxide

hydrate, roscherite (triclinic),

Be4Ca2 (Mng . g iMg . 04Ca , 05) (Al . is^e . 42 Mn.i2)(P04)6(0H)4'6H20 I6m 100

Beryllium calcium oxide,

Bei7Cai2029 7m 89

Beryllium chromium oxide, BeCr204 10 12 Beryllium cobalt, BeCo 5m 62

Beryllium germanium oxide, Be2Ge04 10 13

Beryllium lanthanum oxide, Be2La20s 9m 65

Beryllium niobium, Be2Nb 7m 92

Beryllium nitride, Be3N2 18m 15 Beryllium oxide (bromellite) , BeO 1 36

Beryllium palladium, BePd 5m 62

Beryllium silicate, phenakite,

Be2Si04 8 11 Beryllium sulfate, BeS04 15m 20

Bismuth, Bi 3 20

Bismuth bromide oxide, BiOBr 8 14

Bismuth ceriiun, BiCe 4m 46

Bismuth chloride oxide (bismoclite)

,

BiOCl 4 54

Bismuth dysprosium, BiDy 4m 47

Bismuth erbium, BiEr 4m 47

Bismuth fluoride, BiF3 Im 7 Bismuth holmium, BiHo 4m 48

Bismuth(III) iodide, Bilg 6 20

Bismuth iodide oxide, BiOI 9 16

Bismuth lanthanum, BiLa 4m 48

Bismuth neodymium, BiNd 4m 49

Bismuth oxide (bismite) , a-Bi203 . . 3m 17

Bismuth phosphate , BiP04

(monoclinic) 3m 11 Bismuth phosphate, BiP04 (trigonal) 3m 13

Bismuth praseodymium, BiPr 4m 49

Bismuth selenide (paraguanajuatite)

,

Bi2Se3 18m 16

Bismuth sulfide (bismuthinite)

,

BigSs 5m 13

Bismuth telluride, BiTe 4m 50

Bismuth telluride (tellurobismuthite), 812X63 3m 16

84
Vol. or

Sec. Page

Vol. or

Sec. Page

Bismuth vanadium oxide, high form,

BiV04 (monoclinic) 3m 14

Bismuth vanadium oxide, low form,.

BiV04 (tetragonal) 3m 14

Boron oxide, B2O3, phase 1 10m 70

Cadmium, Cd 3 10

Cadmium ammine chloride,

Cd(NH3)2Cl2 10m 14

Cadmium borate, CdB407 16m 24

Cadmium bromate hydrate,

Cd(Br03)-2H20 17m 14

Cadmium bromide, CdBr2 9 17 Cadmium bromide chloride, CdBrCl .. 11m 15 Cadmium carbonate (otavite), CdCOs 7 11 Cadmium cerium, CdCe 5m 63

Cadmium chlorate hydrate,

Cd(C104)2-6H20 3m 19 Cadmium chloride, CdCl2 9 18

Cadmium chromium oxide, CdCr204 ... 5m 16

Cadmium copper, CdgCus 11m 81

Cadmium cyanide, Cd(CN)2 2m 8 Cadmium fluoride, CdF2 10m 15

Cadmium iron oxide, CdFe204 9m 16

Cadmium lanthanum, CdLa 5m 63

Cadmium manganese oxide, CdMn204 .. 10m 16

Cadmium molybdenum oxide, CdMo04 .. 6 21

Cadmium nitrate hydrate,

Cd(N03)2-4H20 7m 93

Cadmium oxide, CdO 2 27

Cadmium oxide, CdO (ref, standard) 8m 2 Cadmium phosphate, Cd2P207 16m 26

Cadmium phosphate, Cd3(P04)2 16m 27

Cadmium praseodymium, CdPr 5m 64

Cadmium selenide (cadmoselite)

,

CdSe (hexagonal) 7 12 Cadmium silicate, Cd2Si04 13m 19 Cadmium silicate, Cd3Si05 13m 20

Cadmium sulfate, CdS04 3m 20

Cadmium sulfate hydrate, CdS04>H20 6m 10

Cadmitim sulfate hydrate,

3CdS04-8H20 6m 8 Cadmium sulfide (greenockite) , CdS 4 15 Cadmium telluride, CdTe 3m 21

Cadmium titanium oxide, CdTiOs .... 15m 21

Cadmium tungsten oxide, CdW04 2m 8 Calcium, Ca 9m 68

Calcium aluminum germaniiim oxide,

Ca3Al2(Ge04)3 10 15

Calcium aluminum hydroxide,

Ca3Al2(0H)i2 llm 16

Calcium aluminum iron oxide

(brovmmillerite) , Ca4Al2Fe20io ••• l^m 28

Calcium aluminum oxide, Ca3Al20e .. 5 10

Calcium aluminum oxide (mayenite),

Cai2Ali4033 9 20

Calcium aluminum sulfate hydrate

(ettringite) , Ca6Al2S30i8 *31H20 .. 8 3 Calcium borate, CaB204 18m 17 Calcium borate, CaB204

(calculated pattern) 15m 136

Calcium borate hydrate,

hexahydroborite , Ca[ 8(011)4] 2 •2H2O l^m 104

Calcium boride, CaBe 16m 29

Calcium bromide, CaBr2 11m 70

Calcium bromide hydrate, CaBr2*6H20 8 15

Calcium carbonate (aragonite)

,

CaCOs (orthorhombic) 3 53

Calcium carbonate (aragonite),

CaCOs (orthorhombic, calculated

pattern) I4m 44

Calcium carbonate (calcite),

CACO3 (hexagonal) 2 51

Calcium chloride (hydrophilite)

,

CaCl2 llm 18 Calcium chloride fluoride, CaClF .. 10m 17 Calcium chloride hydrate,

CaCl2-4H20 11m 73

Calcium chloride hydrate

(antarcticite) , CaCl2 -61120 12m 16

Calcium chromium germanium oxide,

Ca3Cr2(Ge04)3 10 16

Calcium chromium iron titanium

oxide, loveringite, Ca _ 72RE _ 33 (Y,

Th,U,Pb),05Til2, 48^63. 38Cr2!24

Mg,92Zr.58Al,39V,2iMn.04038 I6ni 106

Calcium chromium oxide (chromatite)

,

CaCr04 7 13

Calcium chromium oxide, Ca3(Cr04)2 15m 22

Calcium chromium silicate

(uvarovite), Ca3Cr2 (8104)3 10 1^ Calcium cyanamide, CaCN2 18m 19

Calcium fluoride (f luorite) , CaF2 • 1 69

Calcium fluoride phosphate

(fluorapatite) , Ca5F(P04)3 3m 22

Calcium fluoride phosphate hydrate,

CaFP03'2H20 15m 24

Calcium gallium germanium oxide,

Ca3Ga2(Ge04)3 10 18

Calcium hydrogen phosphate hydrate,

Ca8H2(P04)6-5H20 13m 21

Calcium hydrogen phosphate sulfate

hydrate, Ca2HP04S04 •4H2O 16m 109

Calcium hydroxide (portlandite)

,

Ca(0H)2 1 58

Calcium iodate (lautarite),

Ca(103)2 14m 12 Calcium iodate hydrate,

Ca(I03)2'6H20 14m 13

Calcium iron germanium oxide,

Ca3Fe2(Ge04)3 10 19

Calcium iron oxide, CaFe204 18m 20

Calcium iron silicate (andradite)

,

Ca3Fe2Si30i2 9 22

Calcium iron silicate

hydroxide, julgoldite,

Ca2Fe3Si30io(OH,0)2(OH)2 10m 72

Calcium lead nitrate,

Ca.33Pb.67(N03)2 12m 44

Calcium lead nitrate,

Ca,67Pb. 33(^03)2 12m 44

Calcium magnesium silicate

(diopside), CaMg(Si03)2 5m 17 Calcium molybdenum oxide

(powellite), CaMo04 6 22

Calcium nitrate, Ca(N03)2 7 14

Calcium oxide (lime), CaO 1 43

Calcium oxide (lime) , CaO

(calculated pattern) 14m 49

Calcium oxide phosphate, Ca40(P04)2 12m 17 Calcium phosphate, p-Ca2P207 7m 95

Calcium platinum oxide, Ca4Pt06 ••• 10m 18

Calcium selenide, CaSe 5m 64

85
Vol. or

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Sec. Page

Calcium strontium nitrate,

Ca.33Sr,67(N03)2

Calcium strontium nitrate,

Ca.67Sr.33(N03)2

Calcium sulfate (anhydrite), CaS04

Calcium sulfate hydrate (bassanite)

,

CaS04-0.5H20

Calcium sulfate hydrate (gypsum)

,

CaS04-2H20

Calcium sulfide (oldhamite) , CaS .. Calcium telluride, CaTe

Calcium tin oxide, CaSnOs

Calcium titanium oxide

(perovskite) , CaTiOs

Calcium tungsten oxide, Ca3W06 .... Calcium tungsten oxide, scheelite,

CaW04

Carbon, diamond, C Cerium arsenate, CeAs04

Cerium(III) chloride, CeCl3

Cerium cobalt, CeCo2

Cerium cobalt, Ce24Cou

Cerium copper, CeCus

Cerium(III) fluoride, CeFg

Cerium gallium, CeGa2

Cerium magnesium, CeMg

Cerium magnesium, CeMgs

Cerium nickel, CeNi2

Cerium niobium oxide, CeNb04

Cerium niobium titanium oxide

(aeschynite) , CeNbTiOg

Cerium nitrate hydrate,

Ce(N03)3-6H20

Cerium nitride, CeN

Cerium(IV) oxide (cerianite), Ce02

Cerium phosphide, CeP

Cerium tantalum oxide, CeTa04

Cerium thallium, CeTl

Cerium thallium, CeTls

Cerium thallium, CesTl

Cerium(III) vanadium oxide, CeV04

Cerium zinc, CeZn

Cerium zinc, CeZn^

Cerium zinc, CeZns

Cerium zinc, Ce2Zni7

Cesium aluminum sulfate hydrate,

CsAl(S04)2-12H20

Cesium antimony fluoride, CsSbFg -. Cesium beryllium fluoride, CsBeF3

Cesium boron fluoride, CSBF4

Cesium bromate, CsBrOs

Cesium bromide, CsBr

Cesium cadmium bromide, CsCdBrs

(hexagonal)

Cesium cadmium chloride, CsCdCls

(hexagonal)

Cesium calcium chloride, CsCaCls .. Cesium calcium fluoride, CsCaF3 ... Cesium calcium sulfate,

Cs2Ca2(S04)3

Cesium cerium chloride, Cs2CeCl6 .. Cesium chlorate, CSCIO3

Cesium chlorate, CSCIO4,

(orthorhombic)

Cesium chloride, CsCl

Cesium chromium oxide, Cs2Cr04 ....

Cesium chromium sulfate hydrate.

12m 46 CsCr fSO^ 1 0 • I2H0O 8 21 6m 11 12m 46 & X IXUI V-UUaXL. \.lJ.XV^i..l-UC| J- A • • 11m 19 4 65 Pact l^CSXLUU iim rrtxwtf^ v.UJJ_^CXr ( T J ^ fVilni"!/!** (^qPiiPI** V. J l-llXUXXUC J VyOVyUVyX^ 5m 22

LiCbXLUU LUJ^pCXr CliXUXXUCj \j£>^\jIJ.\j1.^ • • 11m 20

18m 22 Vjcoxuui ^upptTL oU-xxdct= uyuxducy

7m/ lu 14

11 7m/ Ul 16 26

7 r^AC'iiim n^llniifn ciii'fa't"/* riT7/i i*a ^" l^CoXUill ^dXXXLUll sUXXdUC LiyUXawCy

Am 50 8 23

17m 18 Vj 0 X UJII i, 111(3 11 X Ulll i. X UV^ 1. X y \jO O uCX g 5 17 15m 26

9m 17 4 47

Qm 19 7m 103

0 X Lull X XilC ^IXXUi-XUCj uoXL^Xg • • • • 3 50

5 23 /~*Ac-iiim ^CbXIXlU "I'i"/^ti XxUIL r'\\'\f\'v\t\o CUXUXXUC UyUXaL-Cy r\ \7/\ a 1" 0

2 5 C<?oFf»ric •HoO . ... I4m 14 Am 8 0 X IXlll XLUIi oUXXaUCT liyui.aL.C| Im 8 7m 16

13m 50 \^ci 0 X ixiu xXvii oixxxa^c ixyvixuL-c^

13m 51 6 28

7m 99 V^C a X IXlII XCdU^XX^ ^liXULXUC) \,,<OXL/\.iXO 8 17 5m 24

13m 54 8m 26

5m 65 Pp Q "i 11m 1 1 I'll "i iim foHfl 1

1" pvan 1 13m 56 r<!T 1 CofrNi^ 10m 79

13m 58 Cesium lithium fluoridCj CsLiF2 • •

•

7m 105

18m 25 V'CoXUlU Uld gllC 0 X IXIU l-llX UlIIX Ulll UaXUC j CsoMbo f CrOvi ) 0 8m 27 3m 24 X iXlll Illu K 0 X Ulll ^ 11 *- Vf^UI X Ulll \J A X \1 ^ hvdrate CsoMsfCrO^ )o •6H'>0 8m 29

17m 20 Cesium iD3gn.€siuiii sulfdte hydrate y 4m 51 7m 18

1 56 P*»c*iiifn V> C 0 X IXllI m^Dn^cniim Ula Klld 0 X Ulll 1"'i1"ariiiirn L-XL>C)UXUtU nvinp vAXUC y Am 52 18m 29

18m 27 C ^ X UJII lilO IJl^ uILC iZ> 13 XX UV X X Vl^ ^ u O I ILLX ^ 10m 21

13m 59 l^cr o X LUII lllclIXg(iij.c:r oc: ouxxauc ixy ux a l-c j 13m 60 P«;«Mn f SO - 1 ^ *6H«0 7m 20

13m 61 ^^CaXLUIl IUt:X^LJ.I.y ^-IXXUXXUCj LjolLgl-'X^ . 7m 22

Im 9 Pjacinm VrfC O X IXIU UX^1\CX\,XX^ nir'lr*^irTT'1 fhlrii"iH#=» ^U.XV^I.XUCZ] P^NiPln t_rai<IXi./X^ 6m 12 5m 65 VrfC o X IXlll UX L l&C X oUXXaL-C IXy vJ i- O. l.c y 14m 50 7m 23

14m 53 9 25

14m 55 ^£3e?-iiim /%c?mTiimiT\7l r\ v/^fnT PCi^MCRT"** E> XUlU UaUlXUill ^XV^ UXUIIIXUCj \ja ^yJaLJ L Q 2m 10

r^Acniifn rtonriiiiifi r^n 1i~»viHp Pc«OcP1 a LrCbXiXllI UolUXLUU L.llXUI.XUCj \_i Ci 2 ° 6 * * 2m 11 6 25 VrfCioXUlU JJ X a L. X liulil UXOUIXUCj ^-lOgXl-iJXg • 8 19 4m 9 (""^c^Tiiin T^lal—iniim r*\\'\f\'v{/\o Pc»*P'l"Pl*. LfCSXlXin ^XduXIIUiU LxLXUXXLlCy Kja^L 5 14 9m 69 pACTiim T>la't""iniifTi "flii/TKin^* P^rtPI'F/* 6 27

8 22 a a A i\m o'\ on A \im V\V/MTI"l/1o Pc-.S^R'I"** LfCsXUilJ be XcIiX Ulll UxUllIXUCj 1_>£> 2>~'~1JI. g 8 20

8 18 P^^ciiim C O X cilifon fliiirriHp Ps^^SiF/* . Ulll OXXX^V^U XX UV^ XXU^j uOV'-'XJ.^ . • 5 19

3 49 /^zio-Iiim ^CbXUlU c+'v/^nt'Tiifn r"ril/^VT/iP PcS'K'Pia fa L. L OllUXLIill ClXXUXXUCj VjOijX^X^ 6m 13

P#»«;"iiim ciil'Fa1"(» P^lrtSO- . ... 7 17 10m 20 Oiio-iiiiiti i"AlTii*"Ti iiT» r\ t^i^rrt "i Pc«T(i*Ri'"y» LiCfa XUill Ut=X X Ux XtXUI UX vIllXUC y \ja*^l. cXJX g

9 24

r'iao-iiim ""in r^Iil/YVn/lc Pc**SnP1j^ 5 16

5m 19 CLf ocC fa {X UUI TranaHiiim V olid. U X UUl ciil'fa't"** faUXXak-C hvnfflt"^ Iiyuxauc:}

5m 21 P<:\7C<?n "1 « • 1 9H«n Im 11 8m 25 L>cS XUlU ZXXLL. o Ux X a Uc Uyux a L.C ^ 7m 25

7m 12 5 20

14m 58 17m 22

8 20 18m 30

11m 77

Im 10 17m 23

2 44 Chromium chloride hydrate, CrCl3"6H20 16m 31

3m 25 Chromium cobalt niobium, CoCrNb ... 15m 140

86
Vol. or

Sec. Page

Vol. or

Sec. Page

Chromium cobalt silicide,

CogCrigSig

Chromium cobalt tantalum, CoCrTa .

.

Chromium fluoride, CrF2

Chromium fluoride, Cr2F5

Chromium(III) fluoride hydrate,

CrFg-SHzO

Chromium iridium, Crsir

Chromium iron oxide,

Cr1.3Feo.7O3

Chromium oxide, CrO^

Chromium(III) oxide, Cr203

Chromium phosphate, a-CrP04

Chromium phosphate, p-CrP04

Chromium phosphate hydrate,

CrP04-6H20

Chromium rhodium, CrsRh

Chromium silicide, CrsSi

Chromium sulfate, Cr2(S04)3

Cobalt, Co (cubic)

Cobalt aluminum oxide, C0AI2O4 .... Cobalt ammine iodide, Co(NH3)el3 .

Cobalt antimony oxide, CoSb20e . . .

.

Cobalt arsenide, C0AS2

Cobalt arsenide (skutterudite)

,

C0AS3

Cobalt borate, Co3(B03)2

Cobalt bromide hydrate, CoBr2*6H20

Cobalt(II) carbonate (sphaerocobaltite), C0CO3

Cobalt chlorate hydrate,

Co(C104)2'6H20

Cobalt chloride hydrate, CoCl2-2H20

Cobalt chloride hydrate, C0CI2 -61120 Cobalt chromium oxide, CoCr204 .... Cobalt copper tin, CoCu2Sn

Cobalt dysprosium, Co2Dy

Cobalt erbium, Co2Er

Cobalt erbium, Co7Er2

Cobalt fluoride, CoFg

Cobalt fluoride, C0F2 (calculated

pattern)

Cobalt fluoride hydrate, C0F2 -41120 Cobalt gadolinium, CoGd3

Cobalt gadolinium, Co2Gd

Cobalt gadolinium, Co7Gd2

Cobalt gallium hafnium, Co2GaHf . .

.

Cobalt gallium manganese, Co2GaMn

Cobalt gallium niobium,

C01.5Gao.5Nb

Cobalt gallium niobium, Co2GaNb . .

.

Cobalt gallium oxide, CoGa204

Cobalt gallium tantalum,

C01.5Gao.5Ta

Cobalt gallium tantalum, Co2GaTa

Cobalt gallium titanium, Co2GaTi .

.

Cobalt gallium vanadium, Co2GaV . .

.

Cobalt germanium, 003662

Cobalt germanium, Co^Ge^ '.

.

.

Cobalt germanium hafnium,

Coi6Ge7Hf6

Cobalt germanium manganese,

C02GeMn

Cobalt germanium niobium,

C01.5Geo.5Nb

Cobalt germanium niobium.

14m 62 14ra 71 15m 142 \j\jLj a s. K~ 1. iiidii J. ULiii i^AXV-id f 0 w 0 vj tr w ^ • • • 10 27

10m 81 \j\J \J d ^ o 11. X LUIi ^ dLL J_ Lull y 7m 108 15m 152

5m 25 Coi6Ge7Ta6 14m 73

6m 14 C f\\\ alt" TTna rriiirn 't'nI'siTTiiifn nCi^'V'i 13m 80

Pnha It" ha -fn i nm tin Pn^H-F^^n 14m 75 17m 24 14m 76

17m 25 f\r\ oli" hi-^TiTiTiim i r\ ^ „ TTrt - _ 15m 1 SA

5 22 Crt'ha'if- h\Tf\rrt-vi r\f^ R — PnTnTT^-, 15m

2m 12 13m 81

9 26 Pnha It -inHiHp PnT^, CnYxal \j\juaj.i^f" 1X Y*nn X v^Li ^ir'QpniHp axodixxuci 4m 52

15m 27 iQA'Ffl nT"i I'Pi PnT'f* A*s < 10 28

6m 15 Cobalt iron oxide, CoFe204 9m 22

6 29 Coba 1 1 i roQ s u.1 fide Co gFeS

g

14m 77 16m 33 Cobalt iron vanadiuin

,

4m 10 I4m 79

9 27 Cob a 1 1 lantbanuiD CoLa ^ 13m 83

10m 83 13m 86

5m 26 Cobalt magnesium Co2Mg 15m 156

4m 10 Cobalt manganese silicide , Co2MnSi

Cobalt roercury thiocyanate,

I4m 81

10 21 Co rHoCrNSl ^

1

2m 13 12m 20 Cobalt molybdenum , C02M0 14m 82

12m 21 Pnba 1 1" mn 1 vbrfpniim CnrtMn n 15m 158

CciYta 1

1" vnci 1 vbdpniim Cn -^Mn ^ 15m 160

10 24 Pribjilt' \^KJ U d d- \^ mnl UI\J A- uhHpniiiii y U UdXLUil Qilir"iHp 0 X X X ^ X , Co 2 ^ 15m 162

3m 28 Cnbfl 1

1" npfidviTi'i nm Cn^MH 13m 87

11m 22 Cobalt nickel tin,

11m 23 Co -7 cNi •»cSn "I c ......... 13m 88

9m 21 Cobalt niobium silicide , Co2Nb4Siy 15m 164

14m 64 Cobalt niobium tin Co2NbSn 15m 166

13m 63 Cobalt nitrate hydrate.

13m 64 (y-Co(N03)2 •6H2O 12m 22

13m 65 Cobal t n T ^ oxi de CoO 9 28

18m 31 Cobaltfll III^ oxide CooC 9 29

Cobalt phosphate Co(P03)2 13m 23

10m 85 I4m 83

11m 24 Cobalt phosphide C0P3 14m 85

13m 68 18m 32

13m 71 Cobalt platinum, CoPt (disordered) 15m 167

13m 72 Cobalt platinum, CoPt (ordered) . .

.

15m 168

14m 65 Cobalt platinum, CoPt3

13m 75 15m 169

Cobalt platinum, CoPt3 (ordered) .

.

15m 170

15m 144 14m 87

14m 66 Pnhfl It" "nTiitTini nm PnPii

«

15m 171

10 27 Coba It p lutonium CoPug 14m 89

146

1^ r\ ^ 1 t" 1 ii"l~^t^T 11 m 1 _ Pi 1 1 Am 01 15m Pnh^ 1 1" Ti 1 11 1" nn "iiim PfirtPii 14m 92

13m 76 Pr»l">sl1" nliil'nn'iiiiTi Pn - «Pii

«

I4m 94

13m 77 Pnha 1 I" Ti T"?! ^ poHvrni iifTi Pn^Pi* 14m 97

13m 78 Pnhall^ I^UUctXU rhoHn'iim XilUUX Lull «:nlfiHp oUXxXUC, Pn«Rh9« \j\J QfVllO 0 • • • 14m 98

14m 67 V^UUaXL /-\ r\ ril"^" Vll^Vl^FITll xTU-LIicIiJ. LUIIIT* 01iItt/1£1 bU-XXlUc:, f^/^ UUoJXLXOq W1 1 ^ . 1 Am 1 nn 15m 148 15m 173

13m 90

14m 69 Cobalt silicate, Co2Si04

4m 11 13m 79 Cobalt silicon fluoride hydrate.

CoSiF6'6H20 3m 27

15m 150 Cobalt sulfate, 6-C0SO4 2m 14

87
Vol. or

Sec. Page

Vol. or

Sec. Page

Cobalt tantalum silicide,

CoigTagSiv 14ni 102

Cobalt thorium, Coi7Th2 12m 64

Cobalt tin, CogSng 13m 92

Cobalt tin oxide, Co2Sn04 15m 30

Cobalt tin vanadium, Co2SnV ISm 174

Cobalt tin zirconium, Co2SnZr 15m 175

Cobalt titanium oxide, CoTiOs 4m 13

Cobalt titanium silicide,

CoieTieSi? 14m 104

Cobalt tungsten oxide, C0WO4 4m 13 Cobalt vanadium silicide, Co2VSi .. 15m 176

Copper, Cu 1 15 Copper ammine selenate,

Cu(NH3)4Se04 10m 87

Copper ammine sulfate hydrate,

Cu(NH3)4S04'H20 10m 90

Copper antimony oxide, CuSb20g .... 5m 27

Copper arsenate (trippkeite)

,

CUAS2O4 16m 120

Copper (I) bromide, CuBr 4 36

Copper(I) chloride (nantokite)

,

CuCl 4 35

Copper chloride hydrate

(eriochalcite) , CuCl2-2H20 18m 33

Copper fluoride hydrate, CuF2'2H20 11m 25

Copper hydrogen phosphite hydrate,

CuHP03-2H20 11m 83

Copper hydroxide carbonate,

azurite, CU3 (OH) 2 (C03)2 10 30

Copper hydroxide carbonate

(malachite), Cu2(0H)2C03 ... 10 31

Copper hydroxide phosphate

(libethenite) , Cu2(0H)P04 17m 30

Copper(I) iodide (marshite) , Cul .. 4 38

Copper lead hydroxide sulfate,

linarite, CuPb (OH) 2 (SO4) 16m 34

Copper(l) oxide (cuprite), CU2O ... 2 23

Copper(II) oxide (tenorite) , CuO ... 1 49

Copper phosphate, Cu(P03)2 I4m 15 Copper phosphate, a-Cu2P207 7m 113

Copper sulfate (chalcocyanite)

,

CUSO4 3m 29

Copper(II) sulfide (covellite), CuS 4 13 Copper uranium oxide, CUUO4 10m 93

Dichlorotetraaquochromium (III)

chloride dihydrate,

[Cr(H20)4Cl2] C1-2H20 I6m 31

Dysprosium arsenate, DyAs04 3m 30

Dysprosium arsenide, DyAs 4m 53

Dysprosium gallium oxide,

Dy3Ga50i2 2m 15 Dysprosium gold, DyAu 5m 66

Dysprosium nitride, DyN 4m 53

Dysprosium oxide, Dy203 9 30

Dysprosium silver, DyAg 5m 66

Dysprosium telluride, DyTe 4m 54

Dysprosium vanadium oxide, DyV04 . . 4m 15 Erbium arsenate, ErAs04 3m 31

Erbium arsenide, ErAs 4m 54

Erbium gallium oxide, Er3Ga50i2 ••• Im 12 Erbium manganese oxide, ErMn03 .... 2m 16 Erbium nitride, ErN 4m 55

Erbium oxide, Er203 8 25

Erbium phosphate, ErP04 9 31

Erbium silver, ErAg 5m 67

Erbium telluride, ErTe 4m 55

Erbium vanadium oxide, ErV04 5m 29

Europium arsenate, EUASO4 3m 32

Europium(Ill) chloride, EUCI3 Im 13

Europium chloride oxide, EuClO .... Im 13

Europium gallium oxide,

Eu3Ga50i2 2m 17 Europium nitride, EuN 4m 56

Europium oxide, EuO 4m 56

Europium phosphate, EUPO4 11m 26

Europium(III) vanadium oxide, EUVO4 4m 16

Gadolinium arsenate, GdAs04 4m 17 Gadolinium arsenide, GdAs 4m 57

Gadolinium chloride hydrate,

GdCl3-6H20 7m 118

Gadolinium chloride oxide, GdClO .. Im 17 Gadolinium fluoride, GdF3 Im 14

Gadoliniuim gallium oxide,

Gd3Ga50i2 2m 18

Gadolinium indium, Gdin 5m 67

Gadolinium nitride, GdN 4m 57

Gadolinium oxide, Gd203 Im 16

Gadolinium silver, GdAg 6m 87

Gadolinium titanium oxide, Gd2Ti05 8m 32

Gadolinium vanadium oxide, GdV04 .. 5m 30

Gallium, Ga 2 9 Gallium arsenide, GaAs 3m 33

Gallium lutetium oxide, Ga5Lu30i2 2m 22

Gallium magnesium, Ga2Mg 12m 48

Gallium magnesium, Ga5Mg2 12m 51

Gallium neodymium oxide, Ga5Nd30i2 !"> 34

Gallium oxide, a-Ga203 4 25

Gallium phosphate (a-quartz type)

,

GaP04 8 27

Gallium phosphate hydrate,

GaP04-2H20 8m 34

Gallium samarium oxide, Ga5Sm30]^2 ^2

Gallium ytterbium oxide, GasYb30i2 Im 49

Gallium yttrium oxide, Ga5Y30i2 ••• Im 50

Germanium, Ge 1 18 Germanium iodide, Gel2 4m 58

Germanium(IV) iodide, Gel4 5 25

Germanium oxide, Ge02 (hexagonal)

(low form) 1 51

Germanium oxide, Ge02

(tetragonal) (high form) 8 28

Gold, Au 1 33

Gold chloride, AuCl 16m 37

Gold(l) cyanide, AuCN 10 33

Gold holmium, AuHo 5m 68

Gold magnesium, AuMg 6m 83

Gold niobium, AuNb3 6m 16

Gold potassium cyanide, AuK(CN)2 • 8m 36

Gold tin, AuSn 7 19 Gold titanium, AuTi3 6m 17 Gold vanadium, AUV3 6m 18

Hafnium, Hf .'. . 3 18 Holmium arsenate, H0ASO4 3m 34

Holmium fluoride, H0F3 10m 23

Holmium nitride, HoN 4m 58

Holmium oxide, H02O3 9 32

Holmium selenide, HoSe 4m 59

Holmium silver, HoAg 5m 68

Holmium vanadium oxide, H0VO4 4m 18

Hydrazinium sulfate, (NH3)2S04 17m 38

Hydrogen amidosulfate , H2NSO3H 7 54

88
Vol. or

Sec. Page

Vol. or

Sec. Page

Hydrogen arsenate, H5AS3O10 7m 84

Hydrogen borate, P-HBO2 (monoclinic) 9m 71 Hydrogen borate (metaborite)

,

HBO2 (cubic) : . . . 4in 27 Hydrogen iodate, HIO3 5 28

Hydrogen iodate, HI3O8 8in 104

Hydrogen phosphate hydrate

,

H3P04-0.5H20 12m 56

Hydrogen tellurate, HgTeOg 12m 34

Indium, In 3 12 Indium arsenide, InAs 3m 35

Indium oxide, In203 5 26

Indium phosphate, InP04 8 29

Indium sulfide, In2S3 11m 30

Iodine, I2 3 16

Iridium, Ir 4 9 Iridium niobium, IrNbs 6m 19 Iridium oxide, Ir02 4m 19 Iridium titanium, IrTi3 6m 20

Iridium vanadium, IrV^ 6m 21

Iron, a-Fe 4 3 Iron arsenide, FeAs Im 19 Iron arsenide (loellingite) , FeAs2 10 34

Iron boride, FeB 18m 35

Iron bromide, FeBr2 4m 59

Iron carbonate, siderite, FeCOs ... 15m 32

Iron chloride hydrate (rokuhnite),

FeCl2-2H20 11m 32

Iron chloride hydrate (hydromolysite)

,

FeCl3-6H20 17m 40

Iron fluoride hydrate, FeF2-4H20 11m 90

Iron fluoride, FeFs 18m 36

Iron fluoride hydrate, p-FeF3*3H20 17m 41

Iron hydroxide sulfate hydrate,

butlerite, Fe(0H)S04-2H20 10m 95

Iron iodide, Fel2 4m 60

Iron oxide (hematite), a-Fe203 .... 18m 37

Iron(II,III) oxide (magnetite),

Fe304 5m 31

Iron phosphate, FeP04 15m 33

Iron phosphate hydrate (vivianite),

Fe3(P04)2-8H20 16m 38

Iron sulfate, Feg (804)3 I6m 39

Iron sulfate hydrate (melanterite)

,

FeS04-7H20 8m 38

Iron sulfide (pyrite), FeSg 5 29

Iron thorium, Fei7Th2 12m 67

Iron titanium oxide (ilmenite)

,

FeTiOg 15m 34

Iron yttrium oxide, Fe5Y30i2 18m 38

Lanthanum arsenate, LaAs04 3m 36

Lanthanum arsenide, LaAs 4m 60

Lanthanum borate, LaBOs Im 20

Lanthanum chloride, LaCls Im 20

Lanthanum chloride oxide, LaClO ... 7 22

Lanthanum fluoride, LaF3 7 21

Lanthanum magnesium, LaMg 5m 69

Lanthanum nickel platinum,

LaNio. 2 5^^4.7 5 17m 42

Lanthanum niobium titanium oxide,

LaNbTiOg 3m 37

Lanthanum nitrate hydrate,

La(N03)3-6H20 8m 40

Lanthanum nitride, LaN 4m 61

Lanthanum oxide, La203 3 33

Lanthanum phosphide , LaP 5m 69

Lanthanum selenide, LaSe 4m 61

Lanthanum titanium oxide, La2Ti207 15m 35

Lanthanum zinc, LaZn 5m 70

Lead, Pb 1 34

Lead borate, PbB407 4m 19 Lead bromide, PbBr2 17m 43

Lead bromide chloride, PbBrCl 11m 33

Lead bromide fluoride, PbBrF 10m 25

Lead bromide hydroxide, PbBr(OH) .. 16m 40

Lead bromide oxide, Pb302Br2 5m 32

Lead carbonate (cerussite) , PbCOs 2 56

Lead chloride (cotunnite) , PbClg 12m 23

Lead chloride fluoride (matlockite)

,

PbClF 13m 25

Lead chromium oxide, Pb2Cr05 I4m 16

Lead fluoride, a-PbF2

(orthorhombic) 5 31

Lead fluoride, p-PbF2 (cubic) 5 33

Lead fluoride iodide, PbFI 10m 26

Lead hydrogen arsenate (schultenite)

,

PbHAs04 14m 18 Lead hydrogen phosphate, PbHP04 ... 15m 37

Lead hydroxide phosphate,

Pb50H(P04)3 8 33

Lead iodate, Pb(I03)2 17m 45

Lead(II) iodide, Pbl2 5 34

Lead molybdenum oxide (wulfenite),

PbMo04 7 23

Lead nitrate, Pb(N03)2 5 36

Lead oxide (litharge), PbO (red,

tetragonal) 2 30

Lead oxide (massicot), PbO (yellow,

orthorhombic) 2 32

Lead(II,III) oxide (minium), Pb304 8 32

Lead oxide sulfate, Pb505S04 10m 27

Lead selenide (clausthalite) , PbSe 5 38

Lead strontium nitrate,

Pb.33Sr.67(N03)2 12m 53

Lead strontium nitrate,

Pb.67Sr.33(N03)2 12m 53

Lead sulfate (anglesite), PbS04 ... 3 67

Lead sulfide (galena), PbS 2 18

Lead tin oxide, Pb2Sn04 10m 29

Lead titanium oxide (macedonite)

,

PbTiOa 5 39

Lead tungsten oxide (stolzite)

,

PbW04 (tetragonal) 5m 34

Lead uranium oxide, PbaUOg 8m 109

Lithium aluminum fluoride,

a-LigAlFg 8m 111

Lithium arsenate, Li3As04 2m 19 Lithium azide, LiNs 8m 113

Lithium barium fluoride, LiBaFs ... 5m 35

Lithium beryllium fluoride, Li2BeF4 7m 126

Lithium borate, Li2B407 8m 114

Lithium bromide, LiBr 4 30

Lithium calcium aluminum boron

hydroxy silicate, liddicoatite

,

Ca(Li,Al)3Al6B3Si6027(0,0H)3(0H,F) 16m 42

Lithium carbonate, Li2C03 8m 42

Lithium chlorate hydrate,

LiC104-3H20 8 34

Lithium chloride, LiCl 1 62

Lithium chromium oxide hydrate,

Li2Cr04-2H20 16m 44

Lithium fluoride, LiF 1 61

89
Lithium gallium oxide, LiGa02

Lithium hydroxide, LiOH

Lithium hydroxide hydrate, LiOH*H20

Lithium iodate, LilOs (hexagonal)

Lithium iodate, LilOs (tetragonal)

Lithium iodide hydrate, LiI-3H20 .. Lithium molybdenum oxide, Li2Mo04

(trigonal)

Lithium niobium oxide, LiNbOs

Lithium nitrate, LiNOs

Lithium oxide, Li20

Lithium phosphate, high form, Li3P04

Lithium phosphate, low form

(lithiophosphate) , Li3P04

Lithium phosphate hydrate,

Li3P309-3H20

Lithium potassium sulfate, KLiS04

Lithium rubidium fluoride, LiRbF2

Lithium selenide, Li2Se

Lithium silicate, Li2Si03

Lithium silver bromide,

Li.aAg.gBr

Lithium silver bromide, Li 4Ag gBr

Lithium silver bromide,

Li.6Ag.4Br

Lithium silver bromide,

Li.8Ag.2Br

Lithium sodium aluminum fluoride,

cryolithionite , Li3Na3Al2Fi2

Lithium sodium sulfate, LiNaS04 ... Lithium sulfate, Li2S04

Lithium sulfate hydrate,

Li2S04-H20

Lithium sulfide, Li2S

Lithium tantalum oxide, LiTaOs .... Lithium telluride, Li2Te

Lithium tin oxide, Li2Sn03

Lithium tungsten oxide, Li2W04

(trigonal)

Lithium tungsten oxide hydrate,

Li2W04-0.5H20

Lithium uranium fluoride, LillFs ... Lutetium arsenate, LUASO4

Lutetium manganese oxide, LuMnOs .. Lutetium nitride, LuN

Lutetium oxide, LU2O3

Lutetium vanadium oxide, LUVO4 .... Magnesium, Mg

Magnesium aluminum oxide (spinel)

,

MgAl204

Magnesium aluminum silicate (low

cordierite), Mg2Al4Si50i8

(orthorhombic)

Magnesium aluminum silicate

(indialite) Mg2Al4Si50i8

(hexagonal)

Magnesium aluminum silicate

(pyrope), Mg3Al2 (8104)2

Magnesium borate, MgB407

Magnesium borate, Mg2B205

(triclinic)

Magnesium bromide, MgBr2

Magnesium bromide hydrate,

MgBr2-6H20

Magnesium carbonate (magnesite)

,

MgCOg

Vol. or

Sec. Page

10m 31

17in 46

Q 9

7 26

10m 33

a 8m 40

Im 23

ofn7 27 im

3m 39

4m 21

2m 20

jm /.I Ho

7m 128

lOra 100

1 Am 1 Q

jD

12m 55

12m 55

12m 55

9m 23

6m 24

6m 26

4m 22

1 u 1 14m 20

1 Am 1 n9

I6m 45

Im 25

2m 20

7m 131

5m 36

2m 23

4ni Im 27

5m 37

1 10

9m 25

im 9 C

im Z39Q

4m 24

i /m ^ 1

4m 25

4m 62

11m 35

Vol. or

Sec. Page

Magnesium cerium nitrate hydrate.

Mg3Ce2(N03)i2-24H20 10 20

Magnesium chlorate hydrate,

Mg(C104)2-6H20 7m 30

Magnesium chloride (chloromagnesite), MgCl2 11m 94

Magnesium chloride hydrate.

MgCl2-12H20 7m 135

Magnesium chloride hydrate

(bischofite) , MgClg-eHgO 11m 37

Magnesium chromium oxide

(magnesiochromite) , MgCr204 9 34

Magnesium chromium oxide hydrate.

MgCr04-5H20 15m 39

Magnesium fluoride (sellaite) , MgF2 4 33

Magnesium fluoride silicate

(humite), Mg7F2Si30i2 Im 30

Magnesium fluoride silicate

(norbergite), Mg3F2Si04 10 39

Magnesium gallium oxide, MgGa204 .. 10 36

Magnesium germanium oxide.

Mg2Ge04 (cubic) 10 37

Magnesium germanium oxide,

Mg2Ge04 (orthorhombic) 10 38

Magnesium hydrogen phosphate

hydrate, newberyite, MgHP04 -31120 7m 139

Magnesium hydroxide (brucite),

Mg(0H)2 6 30

Magnesium iodate hydrate.

Mg(I03)2-4H20 17m 48

Magnesium iron hydroxide carbonate

hydrate, pyroaurite,

Mg6Fe2(0H)i6C03-4H20 (rhomb.)

Magnesium iron hydroxide carbonate

hydrate, sjogrenite.

10m 104

28

Mg6Fe2(0H)i6C03-4H20, (hexag.) ... 10m 103

Magnesium lanthanimi nitrate

hydrate, MggLaz (NO3) 12 •24H2O Im 22

Magnesium manganese oxide, MgMn204 10m 35

Magnesium mercury, MgHg 6m 84

Magnesium molybdenum oxide, MgMo04 7m 28

Magnesium nickel oxide, MgNi02 .... 10m 36

Magnesium oxide (periclase) , MgO .

.

1 37

13m 26

Magnesium phosphate, a-Mg2P207 .... 18m 41

5m 70

Magnesium selenite hydrate.

MgSe03-6H20 8m 116

Magnesium silicate, enstatite,

MgSiOa 6 32

Magnesium silicate (forsterite)

,

Mg2Si04 1 83

Magnesium sulfate hydrate

(kieserite), MgS04-H20 16m 46

Magnesium sulfate hydrate

(epsomite), MgS04'7H20 7 30

Magnesium sulfide, MgS 7 31

Magnesium sulfite hydrate,

MgS03-6H20 9m 26

5 41 Magnesium tin oxide, Mg2Sn04 10m 37

Magnesium titanium oxide

(geikielite) , MgTiOa 5 43

Magnesium titanium oxide, Mg2Ti04 12m 25

Magnesium tungsten oxide, MgW04 ... 13m 27

Manganese, a-Mn (calculated pattern) 7m 142

90
Vol. or

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Manganese, a-Mn

Manganese , p-Mn

Manganese aluminum oxide (galaxite)

,

MnAl204

Manganese bromide, MnBr2

Manganese(II) carbonate

(rhodochrosite) , MnCOs

Manganese chloride (scacchite)

,

MnClz

Manganese chloride hydrate

,

MnClz-aHgO

Manganese chloride hydrate,

MnClg-AHzO

Manganese cobalt oxide, MnCo204 ... Manganese fluoride, MnF2

Manganese iodide, Mnl2

Manganese iron oxide (jacobsite),

MnFe204

Manganese(II) oxide (manganosite)

,

MnO

Manganese oxide (pyrolusite) , p-Mn02

Manganese oxide (bixbyite) , a-Mn203

Manganese oxide (hausmannite)

,

Mn304

Manganese oxide hydroxide, groutite,

a-MnOOH

Manganese phosphate, Mn(P03)2

Manganese phosphate, Mn2P207

Manganese phosphate, Mn3(P04)2 .... Manganese selenide, MnSe

Manganese sulfate hydrate

(szmikite), MnS04'H20

Manganese sulfide (alabandite)

,

a-MnS

Manganese titanium oxide

(pyrophanite) , MnTi03

Manganese (II) tungsten oxide

(huebnerite) , MnW04

Manganese vanadium oxide, Mn2V207

Mercury amide chloride, HgNH2Cl ... Mercury ammine chloride,

Hg(M3)2Cl2

Mercury bromate, Hg(Br03)2

Mercury bromide, HgBr2

Mercury bromide, Hg2Br2

Mercury chloride, HgCl2

Mercury chloride (calomel),

Hg2Cl2

Mercury chloride sulfide,

a-Hg3Cl2S2

Mercury(II) cyanide, Hg(CN)2

Mercury(II) fluoride, HgF2

Mercury hydroxide nitrate,

Hg(OH)N03

Mercury(I) iodide, Hgl

Mercury(II) iodide, Hgl2 (tetragonal)

Mercury(II) oxide (montroydite)

,

HgO

Mercury(II) selenide (tiemannite)

,

HgSe

Mercury sulfate, HgS04

Mercury sulfate, Hg2S04

Mercury(II) sulfide (cinnabar),

HgS (hexagonal)

Mercury(II) sulfide (metacinnabar)

,

HgS (cubic)

1 7in I tut DKJ 1 20

Molybdenum arsenide, M02AS3 10m 115

6m 28

q ISm 44

Add Molybdenum oxide (molybdite), M0O3 3 30

Molybdenum sulfide (molybdenite)

,

7 M0S2 5 47

4m 28

OUI Neodymium arsenide, NdAs 4m 64

Im 32

1 Im JO Im 33

Neodymium chloride oxide, NdOCl ... 8 37

Qm £.0 9ft 8 36

4 26

1 Om 1X OSUJ llm 40

5m 71

5m 71

Qy Neodymium tantalum oxide, NdTa04 .. 18m 46

Neodymium titanium oxide, Nd2Ti05 18m 48

Neodymium titanium oxide, Nd2Ti207 18m 50

10m jy Neodymium titanium oxide, Nd4TiQ0o4 18m 52

llm 95 Neodymium vanadium oxide, NdV04 ... 4m 30

4m 64

10m JO Nickel, Ni 1 13

Nickel aluminum oxide, NiAl204 .... 9 42

11 Imim Q7y 1 Nickel arsenide (rammelsbergite)

,

l4m 21 10 42

IDUl H- X Nickel arsenic sulfide

l6m LI Im 35

*+ X 10m 119

Nickel(II) carbonate, NiC03

1 fun AQ Im 36

9m 81

4 Nickel chloride hydrate.

NiCl2-6H20 llm 42

J. Jill A9 10m 121

Nickel fluoride hydrate, NiF2*4H20 llm 43

2m 24 10 45

Qm7111 Nickel germanium oxide, Ni2Ge04 ... 9 43

10m 40 Nickel iron oxide (trevorite),

NiFe204 10 44

± Xlll Nickel nitrate hydrate.

10m 107 Ni(N03)2-6H20 12m 26

1 Om i-X-\J 1 1 fi Nickel (II) oxide (bunsenite), NiO 1 47

7 33 Nickel phosphate, Ni(P0-.)9 14m 22

13m 29 9m 83

Nickel silicon fluoride hydrate.

X Jul D\i NiSiF6-6H20 8 38

Nickel sulfate, NiS04 2m 26

8m 118 Nickel sulfate hydrate (retgersite)

,

JJ NiS04 '61120 . 7 36

9'^ ZJ Nickel sulfide, millerite, NiS .... Im 37

18m 54

1X 7mf 111 J 2m 27

AQ 10m 123

7m/ 111 •^9 17m 54

Niobium chloride oxide, NbClsO .... 7m 148

qy ^qoy 6m 30

6m 31

7 JJ 8 39

16m 50 Niobium silicide, 0(-Nb5Si3 15m 43

16m 52 Niobium silicide, p-NbsSis 15m 44

4 8 4 17 6m 85

Palladium, Pd 1 21

4 21 5m 72

91
Vol. or

Sec. Page

Vol. or

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Palladium oxide, PdO 4 27

Palladium selenium (palladseite)

,

PdiySeis 16m 139

Palladium vanadium, PdVs 6in 32

Phosphorus bromide, PBry 7m 150

Phosphorus oxide (stable form I),

P2O5 (orthorhombic) 9m 86

Phosphorus oxide (stable form II),

P2O5 (orthorhombic) 9m 88

Phosphorus oxide (metastable form)

,

P4O10 (rhombohedral) 9m 91

Platinum, Pt 1 31

Platinum titanium, PtTis 6m 33

Platinum vanadium, PtVs 6m 34

Plutonium arsenide, PuAs 4m 65

Plutonium phosphide, PuP 4m 65

Plutonium telluride, PuTe 4m 66

Potassium aluminum sulfate,

KA1(S04)2 9m 31

Potassium aluminum sulfate hydrate

(potash alum) , KAl (804)2 •I2H2O •• 6 36

Potassium arsenic fluoride,

KAsFe 17m 57

Potassium barium chromium oxide,

K2Ba(Cr04)2 14m 23

Potassium barium iron titaniiun

oxide, Ki^isBao.TzFeo.seTis.ssOis 16m 147

Potassium barium molybdenum oxide,

K2Ba(Mo04)2 14m 24

Potassium barium nickel nitrite,

K2BaNi(N02)6 9ra 32

Potassium borate hydroxide hydrate,

K2B405(0H)4-2H20 15m 46

Potassium boron hydride, KBH4 9 44

Potassium bromate, KBrOs 7 38

Potassium bromide, KBr 1 66

Potassium bromide chloride,

KBro.sClo.s 8m 46

Potassium bromide iodide,

KBr_33l_67 llm 44

Potassium bromide iodide, KBr g?!. 33 Hi" ^5

Potassium cadmium fluoride, KCdFs 8m 47 Potassium cadmium sulfate,

K2Cd2(S04)3 7m 34

Potassium calcium carbonate

(fairchildite) , K2Ca(C03)2 8ra 48

Potassium calcium chloride, KCaCl3 7m 36

Potassium calcium fluoride, KCaF3 8m 49

Potassium calcium magnesium sulfate,

K2CaMg(S04)3 7m 37

Potassium calcium nickel nitrite,

K2CaNi(N02)6 9>n 33

Potassium calcium sulfate,

K2Ca2 (304)3 7m 39

Potassium calcium sulfate hydrate

(syngenite), K2Ca (SO4) 2 -1120 I4m 25

Potassium cerium fluoride, p-KCeF4 12m 59

Potassium chlorate, KCIO3 3m 42

Potassium chlorate, KCIO4 6 43

Potassium chloride (sylvite) , KCl 1 65

Potassium chromium oxide, K3Cr08 .. 3m 44

Potassium chromium oxide (lopezite),

KzCrzOy 15m 47 Potassium chromium oxide sulfate,

K2(Cr04). 33(304). 67 12m 28

Potassium chromium oxide sulfate,

K2(Cr04). 67(304). 33 12m 27

Potassium chromium sulfate,

KCr(S04)2 16m 58

Potassium chromium sulfate hydrate,

KCr (804)2 •I2H2O 6 39

Potassium cobalt(II) fluoride,

KC0F3 6m 37

Potassium cobalt fluoride, K2C0F4 11m 46

Potassium cobalt nitrite,

K3Co(N02)6 9 45

Potassium cobalt(II) sulfate,

K2C02 (304)3 6m 35

Potassium copper chloride, KCUCI3 7m 41

Potassium copper chloride hydrate

(mitscherlichite) , K2CuCl4-2H20 .. 9m 34

Potassium copper(II) fluoride,

KCUF3 6m 38

Potassium cyanate, KCNO 7 39

Potassium cyanide, KCN 1 77 Potassium fluoride, KF 1 64

Potassium fluoride hydrate, KF-2H20 18m 55

Potassium germanium fluoride,

K2Ger6 6 41 Potassium hydrogen arsenate,

KH2ASO4 Im 38

Potassium hydrogen iodate,

KH(I03)2 17m 58

Potassium hydrogen phosphate,

KH2PO4 3 69

Potassium hydroxide, KOH at 300 °C 4m 66

Potassium iodate, KIO3 15m 48

Potassium iodate, KIO4 7 41

Potassium iodide, KI 1 68

Potassium iron chloride hydrate

(erythrosiderite) , K2FeCl5'H20 ... 14m 27

Potassium iron cyanide, K3Fe(CN)6 9m 35

Potassium iron cyanide, K4Fe(CN)6 18m 56

Potassium iron(ll) fluoride, KFeF3 6m 39

Potassium iron fluoride, K^FeFe ... 9m 37

Potassium iron sulfate (yavapaiite)

,

KFe(304)2 16m 59

Potassium lead chloride, KPb2Cl5 .. 13m 33

Potassium lead chromium oxide,

K2Pb(Cr04)2 14m 28

Potassium lead molybdenum oxide,

K2Pb(Mo04)2 14m 29

Potassium lead phosphate,

K2Pb(P03)4 15m 50

Potassium lead selenate,

K2Pb(3e04)2 15m 52

Potassium lead sulfate (palmierite)

,

K2Pb (304)2 14m 30

Potassium magnesium chloride

hydrate (carnallite) , KMgCl3-6H20 8m 50

Potassium magnesium chromium oxide,

K2Mg2(Cr04)3 8m 52

Potassium magnesium fluoride, KMgF3 6m 42

Potassium magnesium fluoride, K2MgF4 10m 42

Potassium magnesium selenate

hydrate, K2Mg(Se04)2 •6H2O 10m 43

Potassium magnesium sulfate

(langbeinite) , K2Mg2(S04)3 6m 40

Potassium magnesium sulfate hydrate

(picromerite) , K2Mg(S04)2 •6H2O 8m 54

92
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Potassiuin manganese(II) fluoride,

KMnPa

Potassiuin manganese oxide, KMn04

Potassiuin manganese(II) sulfate

(manganolangbeinite) , K2Mn2(S04)3

Potassiuin molybdenum oxide, K2M0O4

Potassiuin molybdenum oxide phosphate hydrate, KsCMoOg) i2P04 -AHaO

Potassium nickel fluoride, KNiFs

Potassium nickel fluoride, K2NiF4

Potassium nickel(II) sulfate,

KgNia (804)3

Potassiuin niobium fluoride, K2NbF7

Potassium niobium oxide, KNb03 .... Potassium nitrate (niter), KNO3 ... Potassium nitrite, KNO2

Potassium nitrosyl ruthenium

chloride, KjNORuCls

Potassium oxide, K2O

Potassium platinum bromide, K2PtBr6

Potassium platinum chloride,

KaPtClg

Potassium platinum fluoride, K2PtFe

Potassium rhenium chloride, K2ReCl6

Potassium rhenium oxide, KRe04 .... Potassium rubidium chloride,

Ko.sRbo.sCl

Potassium rubidium chromium oxide,

KRbCr04

Potassium ruthenium chloride,

K2RUCI6

Potassium ruthenium oxide chloride

hydrate, K4RU2OCI10 *H20

Potassium selenate, K2Se04

Potassium selenide, K2Se

Potassium selenium bromide, K2SeBr6

Potassium silicon fluoride

(hieratite) , K2SiF6

Potassium silver cyanide, KAg(CN)2

Potassium sodium aluminum fluoride

(elpasolite) , KgNaAlFg

Potassium sodium bromide,

K 2Na gBr

Potassium sodium bromide,

K.4Na.6Br

Potassium sodium bromide,

K.6Na.4Br

Potassium sodium bromide,

K,8Na.2Br

Potassium sodium chloride,

K.^Na.gCl

Potassium sodium chloride,

K,4Na.6Cl

Potassium sodium chloride,

K.6Na.4Cl

Potassium sodium chloride,

K,8Na.2Cl

Potassium sodium sulfate,

K.67Nai,33S04

Potassium sodium sulfate, KNaS04 .. Potassium sodium sulfate

(aphthitalite) , K3Na(S04)2

Potassium strontium chromium oxide,

K2Sr(Cr04)2

Potassium strontium selenate,

K2Sr(Se04)2

6m 45

7 42

6m 43

15m 53

8 43

7m 42

10m 45

6m 46

8m 120

17m 62

3 58

9m 38

I6m 61

10m 125

8 40

13m 34

6 42

2m 28

8 41

8m 76

12m 29

10 46

10 47

9m 41

10m 126

8 41

5 50

8m 78

9m 43

12m 62

12m 62

12m 62

12m 62

12m 63

12m 63

12m 63

12m 63

6m 48

6m 50

6m 52

15m 57

15m 58

Potassium strontium sulfate

(kalistrontite) , K2Sr(S04)2

Potassium sulfate, K2S2O7

Potassium sulfate, K2S2O8

Potassium sulfate (arcanite), K2SO4

Potassium sulfide, K2S

Potassium telluride, K2Te

Potassium thiocyanate, KCNS

Potassium tin chloride, K2SnClg ... Potassium titanium fluoride, K2TiF6

Potassium tungsten oxide, K2WO4 ... Potassium vanadium oxide, KVO3 .... Potassium vanadium oxide, KVsOg ... Potassium zinc bromide hydrate,

KZnBr3-2H20

Potassium zinc fluoride, KZnFs .... Potassium zinc fluoride, K2ZnF4 ... Potassium zinc iodide hydrate,

KZnl3'2H20

Potassium zinc sulfate, K2Zn2(S04)3

Potassium zinc sulfate hydrate,

K2Zn(S04)2'6H20

Potassium zinc vanadium oxide

hydrate, K2Zn2Vio028 ' I6H2O

Potassium zirconium fluoride,

KgZrFy

Praseodymium arsenate, PrAs04

Praseodymium arsenide, PrAs

Praseodymium chloride, PrCl3

Praseodymium chloride oxide, PrOCl

Praseodymium fluoride, PrFs

Praseodymium sulfide, PrS

Praseodymium vanadium oxide, PrV04

Praseodymium zinc, PrZn

Rhenium, Re

Rhodium, Rh

Rhodium vanadium, RhVs

Rubidium aluminum sulfate

hydrate, RbAl(S04)2 •I2H2O

Rubidium amide, RbNH2

Rubidium barium chromium oxide,

Rb2Ba(Cr04)2

Rubidium barium molybdenum oxide,

Rb2Ba(Mo04)2

Rubidium bromate, RbBr03

Rubidium bromide, RbBr

Rubidium cadmium chloride, high

form, RbCdCl3 (tetragonal)

Rubidium cadmium chloride,

low form, RbCdCl3 (orthorhombic)

Rubidium cadmium sulfate,

Rb2Cd2(S04)3

Rubidium calcium chloride, RbCaCls

Rubidium calcium fluoride, RbCaF3

Rubidium calcium sulfate,

Rb2Ca2(S04)3

Rubidium chlorate, RbC103

Rubidium chlorate, RbC104

Rubidium chloride, RbCl

Rubidium chromium oxide, Rb2Cr04 .. Rubidium chromium oxide, Rb2Cr207

Rubidium chromium sulfate hydrate,

RbCr(S04)2-12H20

Rubidium cobalt(II) chloride,

RbCoClg

Rubidium cobalt fluoride, RbCoFs ..

14m 31

9m 99

17m 64

3 62

10m 127

10m 128

8 44

6 38

7 40

11m 47

18m 57

8ffl 56

11m 104

5 51

10m 46

11m 107

6m 54

7m 43

3m 45

9 46

4m 32

4ffl 67 Im 39

9 47

5 52

4m 67

5m 40

5m 72

2 13

3 9 6m 56

6 44

5m 73

14m 32

15m 59

8 45

7 43

5m 43

5m 41

7m 45

7m 47

8m 57

7m 48

8 47

2m 30

4 41

3m 46

15m 60

6 47

6m 57

8m 58

93
Vol. or

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Rubidium cobalt sulfate,

RbjCog (304)3

Rubidium copper chloride hydrate,

Rb2CuCl4'2H20

Rubidium copper sulfate hydrate,

Rb2Cu(S04)2-6H20

Rubidium fluoride, RbF

Rubidium iodate, RblOs

Rubidium iodate, RbI04

Rubidium iodide, Rbl

Rubidium iron chloride hydrate,

RbaFeClg-HgO

Rubidium iron sulfate hydrate,

Rb2Fe(S04)2-6H20

Rubidium lead chromium oxide,

Rb2Pb(Cr04)2

Rubidium lead molybdenum oxide,

Rb2Pb(Mo04)2

Rubidium magnesium chromium oxide,

Rb2Mg2(Cr04)3

Rubidium magnesium chromium oxide

hydrate, Rb2Mg(Cr04)2 •6H2O

Rubidium magnesium sulfate,

Rb2Mg2 004)3

Rubidium magnesium sulfate

hydrate, Rb2Mg(S04)2 -SHaO

Rubidium manganese(II) fluoride,

RbMnF3

Rubidium manganese sulfate,

Rb2Mn2 (304)3

Rubidium nickel(II) chloride,

RbNiCl3

Rubidium nickel sulfate,

Rb2Ni2 (304)3

Rubidium nickel sulfate hydrate,

Rb2Ni (304)2 •6H2O

Rubidium nitrate, RbNOs (trigonal)

Rubidium platinum chloride,

Rb2PtCl6

Rubidium platinum fluoride, Rb2PtF6

Rubidium selenate, Rb2Se04

Rubidium silicon fluoride, Rb2SiF6

Rubidium strontium chloride,

RbSrCls

Rubidium strontium chromium oxide,

Rb2Sr(Cr04)2

Rubidium strontium sulfate,

Rb23r(304)2

Rubidium sulfate, Rb2S04

Rubidium tellurium bromide,

RbgTeBrg

Rubidium tellurium chloride,

Rb2TeCl6

Rubidium tin chloride, Rb23nCl6 ... Rubidium zinc fluoride, RbZnF3 .... Rubidium zinc sulfate hydrate,

Rb2Zn(304)2'6H20

Ruthenium, Ru

Ruthenium titanium, RuTi

Samarium arsenate, 3mAs04

Samarium arsenide, SmAs

Samarium chloride, SmCls

Samarium chloride oxide, SmOCl .... Samarium fluoride, SaF^ Samarium oxide, 3m203 (cubic)

Samarium silver, SmAg

8m 59

10m 47

8m 61

8m 63

15m 62

2m 31

4 43

14m 33

8m 64

14m 34

15m 63

8m 66

8m 68

7m 50

8m 70

5m 44

7m 52

6m 58

8m 72

8m 74

5m 45

5 53

6 48

9m 44

6 49

7m 54

15m 64

15m 65

8 48

8 46

8 48

6 46

7m 57

7m 55

4 5 6m 86

4m 33

4m 68

Im 40

Im 43

Im 41

4m 34

5ffl 73

Samarium tin oxide, Sm23n207

Samarium vanadium oxide, SmV04 .... Scandium arsenate, SCASO4

Scandium arsenide, ScAs

Scandium boride, SCB2

Scandium oxide, SC2O3

Scandium phosphate, SCPO4

Scandium silicate (thortveitite)

,

SC2Si207

Selenium, Se

Selenium oxide (selenolite) , Se02

Silicon, Si

Silicon, Si (reference standard) .

.

Silicon nitride, p-Si3N4

Silicon nitride, p-Si3N4

(calculated pattern)

Silicon oxide (a or low

cristobalite) , Si02 (tetragonal)

Silicon oxide (a or low

cristobalite), Si02 (tetragonal)

(calculated pattern)

Silicon oxide (quartz, low), a-SiOj

Silicon oxide, a or low quartz,

Si02 (hexagonal) ; Silicon oxide (P or high

cristobalite), Si02 (cubic)

Silver, Ag

Silver, Ag (reference standard) ... Silver arsenate, Ag3As04

Silver arsenic sulfide,

xanthoconite , Ag3AsS3

Silver bromate, AgBr03

Silver bromide (bromargyrite) , AgBr

Silver carbonate, Ag2C03

Silver chlorate, AgC103

Silver chloride (chlorargyrite)

,

AgCl

Silver chromium oxide, Ag2Cr04 .... Silver cyanide, AgCN

Silver fluoride, Ag2F

Silver iodate, AgI04

Silver iodide (iodargyrite) , Agl

(hexagonal)

Silver iodide, "y-Agl (cubic)

Silver manganese oxide, AgMn04 .... Silver mercury iodide, p-Ag2Hgl4 .. Silver molybdenum oxide, Ag2Mo04 .. Silver nitrate, AgN03

Silver nitrite, AgN02

Silver oxide, Ag20

Silver(II) oxide nitrate, Ag708N03

Silver phosphate, Ag3P04

Silver rhenium oxide, AgRe04

Silver selenate, Ag2Se04

Silver sodium chloride,

Ago.5Nao.5Cl

Silver sulfate, Ag2S04

Silver sulfide (acanthite) , Ag2S .. Silver terbium, AgTb

Silver thiocyanate, AgCNS

Silver thulium, AgTm

Silver yttrium, AgY

Sodium, Na

Sodium aluminum chloride silicate,

sodalite, Na8Al6Cl2(Si04)6

Sodium aluminum fluoride (chiolite),

Na5Al3Fi4

15m OfD / / 5m 47

4in 35

4lD 00

1 /m 00

J 2.1 Q DU

7m 58

5 54

7m 60

13m 35

12m 2 lom oy

1 Am 1 lo

10 48

iDm 1louQn

lom c 1

3 24

X LO

1 om

cD DO

8m 126

C 7

1 jm JO

/

4 44

9m HO Dm ^'X J J

Q /jQ H-y

Q0 J

1

y/m

I /m £70 /

"7/ A t:

cJ RQOy

5 60

Im 45

/, 01

cJ OZ

00 oi

zm 0 0

om

70

1 Jm 51

10 51

5m 74

16m 62

5m 74

5m 75 9m 105

7m 158

16m 63

94
Vol. or

Sec. Page

Vol. or

Sec. Page

Sodium aliuninum oxide, p-NaA102 ... ISm 62

Sodium aluminum sulfate hydrate

(soda alum), NaAl(S04)2 •I2H2O 15m 68

Sodium azide, a-NaNa, at -90 to -100 °C 8m 129

Sodium azide, p-NaNs 8m 130

Sodium beryllium calcium aluminum

fluoride oxide silicate, meliphanite,

(Nao.63Cai.37)Be(Alo.i3Sii,87)

(ro.75O6.25) 8m 135

Sodium beryllium calcium fluoride

silicate, leucophanite,

NaBeCaFSigOg 8m 138

Sodium borate, NaB02 18m 63

Sodium borate, Na2B407 16m 64

Sodium borate, Na2B80i3 7m 160

Sodium borate hydroxide hydrate

(borax), Na2B405(0H)4-8H20 16m 66

Sodium boron hydride, NaBH4 9 51

Sodium bromate, NaBrOs 5 65

Sodium bromide, NaBr 3 47

Sodium bromide chloride,

NaBr^33Cl,67 Hn ^9

Sodium bromide chloride,

NaBr,67C1.33 11m 50

Sodium calcium aluminum fluoride

hydrate, thomsenolite

,

NaCaAir6'H20 8m 132

Sodium calcium carbonate hydrate,

pirssonite, Na2Ca(C03)2 '2H2O 9m 106

Sodium calcium phosphate, p-NaCaP04 15m 69

Sodium calcium silicate, Na2CaSi04 10m 48

Sodium calcium sulfate (glauberite)

,

Na2Ca(S04)2 6m 59

Sodium carbonate hydrate (thermonatrite), Na2C03-H20 8 54

Sodium carbonate sulfate, Na4C03S04 11m 51

Sodium carbonate sulfate (burkeite)

,

NagCOs (504)2 11m 52

Sodium carbonate sulfate,

Na6C03(S04)2 11m 53

Sodium carbonate sulfate,

Na6(C03)2S04 11m 54

Sodium chlorate, NaClOg 3 51

Sodium chlorate, NaC104

(orthorhorabic) 7 49

Sodium chlorate hydrate,

NaC104-H20 17m 68

Sodium chloride (halite), NaCl 2 41

Sodium chromium oxide, Na2Cr04 .... 9m 48

Sodium chromium oxide hydrate,

Na2Cr04'4H20 9m 50

Sodium chromium oxide hydrate

,

Na2Cr207 -21120 7m 62

Sodium chromium oxide sulfate,

Na4(Cr04)(S04) 11m 55

Sodium cobalt nitrite, Na3Co(N02)6 15m 70

Sodium cobalt (II) sulfate hydrate,

Na2Co(S04)2-4H20 6m 61

Sodium cyanate, NaCNO 2m 33

Sodium cyanide, NaCN (cubic) 1 78

Sodium cyanide, NaCN (orthorhombic)

at 6 °C 1 79

Sodium fluoride (villiaumite) , NaF 1 63

Sodium hydrogen carbonate hydrate,

trona, Na3H(C03)2 •2H2O 15m 71

Sodium hydrogen fluoride, NaHF2 ... 5 63

Sodium hydrogen phosphate,

Na3H(P03)4 10m 130

Sodium hydrogen silicate hydrate,

Na2H2Si04-4H20 7m 163

Sodium hydrogen sulfate hydrate,

NaHS04-H20 9m 52

Sodium hydroxide, NaOH at 300 °C . . 4m 69

Sodium iodate, NalOs 7 47

Sodium iodate, NaI04 7 48

Sodium iodate hydrate, NaI03'H20 .. 17m 73

Sodium iodide, Nal 4 31

Sodium iron fluoride, tSa^FeF^ 9m 54

Sodium lanthanum fluoride silicate,

(Na2La8)F2(Si04)6 7m 64

Sodium lanthanum molybdenum oxide,

NaLa(Mo04)2 10m 49

Sodium magnesium aluminum boron

hydroxide silicate, dravite,

NaMg3Al6B3(0H)4Si6027 3m 47

Sodium magnesium carbonate

(eitelite), Na2Mg(C03)2 Hm 56

Sodium magnesium sulfate

(vanthoffite) , Na6Mg(S04)4 15m 72

Sodium magnesium sulfate hydrate,

bloedite, Na2Mg(S04)2 •4H2O 6m 63

Sodium magnesium sulfate hydrate

(loeweite), Nai2Mg7(S04) 13-15H20 I4m 35

Sodium manganese(Il) fluoride,

NaMnFa 6m 65

Sodium manganese sulfate hydrate,

Nai2Mn7(S04)i3-15H20 14m 37

Sodium mercury(II) chloride hydrate,

NaHgCl3-2H20 6m 66

Sodium molybdenum oxide, Na2Mo04 .. Im 46

Sodium molybdenum oxide, Na2Mo207 9m 110

Sodium neodymium fluoride silicate,

(Na2Nd8)F2(Si04)6 7m 66

Sodium nickel (11) sulfate hydrate,

Na2Ni(S04)2-4H20 6m 68

Sodium niobium oxide (lueshite),

NaNb03 18m 64

Sodium nitrate (soda niter), NaNOs 6 50

Sodium nitrite, NaNOg 4 62

Sodium nitrosyl iron cyanide

hydrate, Na2(N0)Fe(CN)5-2H20 18m 66

Sodiiun oxide, Na20 10m 134

Sodium phosphate, NasPsOg 3ra 49

Sodium phosphate hydrate,

NaaPaOg-HzO 3m 50

Sodium phosphate hydrate,

a-Na4P40i2*^H20 (monoclinic) 13m 39

Sodium phosphate hydrate,

p-Na4P40i2*^H20 (triclinic) 2m 35

Sodium phosphate hydrate,

Na6P60i8*6H20 5m 54

Sodium praseodymium fluoride

silicate, (Na2Pr8)F2(Si04)6 7m 68

Sodium selenate, Na2Se04 9m 55

Sodium selenide, Na2Se 10m 135

Sodium silicate, a(lll), Na2Si205 . 8m 141

Sodium silicate, p-Na2Si205 10m 136

Sodium silicon fluoride

(malladrite) , Na2SiF6 I6m 68

Sodium sulfate, Na2S04 11m 57

Sodium sulfate (thenardite) , Na2S04 2 59

95
i

Vol. or

Sec. Page

Sodium sulfate hydrate,

NagSgOg -51120 Sodium sulfide, Na2S

Sodium sulfite, Na2S03

Sodium telluride, Na2Te

Sodium tin fluoride, NaSn2Fs

Sodium titanium oxide, Na2Ti307 . .

.

Sodium tungsten oxide, Na2W04

Sodium tungsten(VI) oxide hydrate,

Na2W04-2H20

Sodium vanadium oxide, a-NaVOs .... Sodium vanadium oxide, p-NaVOs .... Sodium zinc fluoride, NaZnFs

Sodium zinc sulfate hydrate,

Na2Zn(S04)2-4H20

Sodium zirconium fluoride,

NayZreFsi

Strontium aluminum hydroxide,

Sr3Al2(0H)i2

Strontium aluminum oxide, Sr3Al206

Strontium arsenate, Sr3(As04)2 .... Strontium azide, Sr(N3)2

Strontium borate, SrB204

Strontium borate, SrB407

Strontium bromate hydrate,

Sr(Br03)2-H20

Strontium bromide fluoride, SrBrF

Strontium bromide hydrate,

SrBra '61120 Strontium carbonate (strontianite)

,

SrCOg

Strontium chloride, SrCl2

Strontium chloride fluoride, SrClF

Strontium chloride hydrate,

SrCl2-2H20

Strontium chloride hydrate, , SrCl2-6H20

Strontium chloride hydroxide

phosphate, SrsCl,65(0H).35(P04)3

Strontium chromiiam oxide, SrCr207

Strontium chromium oxide, Sr2Cr04

Strontium chromium oxide hydrate,

SrCr207-3H20

Strontium fluoride, SrF2

Strontium hydroxide, Sr(0H)2

Strontium hydroxide hydrate,

Sr(0H)2*H20

Strontium hydroxide hydrate

,

Sr(0H)2-8H20

Strontium indium hydroxide

,

Sr3ln2(0H)i2

Strontium iodide hydrate,

Srl2-6H20

Strontium iron oxide, SrFej20x9 ••• Strontium manganese oxide,

SrMnOg (cubic)

Strontium manganese oxide,

SrMn03 (hexagonal)

Strontium molybdenum oxide, SrMo04

Strontium nitrate, Sr(N03)2

Strontium oxide, SrO

Strontium oxide, Sr02

Strontium oxide hydrate, Sr02*8H20

Strontium phosphate, a-Sr2P207 •••• Strontium phosphate, a-Sr3(P04)2 •• Strontium scandium oxide hydrate,

Sr3Sc206'6H20

17m 74

10m 140

3 60

10m 141

7m 166

16m 69

Im 47

2m 33

18m 67

18m 68

6m 74

6m 72

8m 144

10m 50

10m 52

2m 36

8m 146

3m 53

4m 36

17m 76

10m 54

4 60

3 56

4 40

10m 55

11m 58

4 58

11m 60

17m 77 16m 71

17m 79

5 67

13m 41

13m 42

13m 43

6m 76

8 58

18m 69

10m 56

10m 58

7 50

12m 31

5 68

6 52

11m 61

11m 62

11m 64

6m 78

Strontium silicate, Sr3Si05

Strontium sulfate (celestite) , SrS04

Strontium sulfide, SrS

Strontium telluride, SrTe

Strontium tin oxide, SrSn03

Strontium titanium oxide, SrTi03 .. Strontium tungsten oxide, SrW04 ... Strontium tungsten oxide, Sr2W05 .. Strontium vanadium oxide, Sr3(V04)2

Strontium zirconium oxide, SrZr03 . Sulfamic acid, H2NSO3H

Sulfur, S (orthorhombic)

Tantalum, Ta Tantalum silicide, TaSi2

Tellurium, Te Tellurium(IV) oxide (paratellurite)

,

TeOg (tetragonal)

Tellurium(lV) oxide, paratellurite,

TeOg (tetragonal)

Tellurium(IV) oxide, tellurite,

Te02 (orthorhombic)

Terbium arsenate, TbAs04

Terbium arsenide, TbAs

Terbium nitride, TbN

Terbium phosphide, TbP

Terbium selenide, TbSe

Terbium sulfide, TbS

Terbium telluride, TbTe

Terbium vanadium oxide, TbV04

Thallium, a-Tl

Thallium aluminum sulfate hydrate,

T1A1(S04)2-12H20

Thallium(I) arsenate, TI3ASO4

Thallium azide, TIN3

Thallium(I) bromate, TlBrOg

Thallium bromide, TlBr

Thallium cadmium sulfate,

Tl2Cd2(S04)3

Thallium(l) chlorate, TICIO4

Thallium(I) chlorate, TICIO3

Thallium(I) chloride, TlCl

Thallium chromium oxide, Tl2Cr04 .. Thallium chromium sulfate hydrate,

TlCr(S04)2-12H20

Thallium cobalt sulfate,

Tl2C02(S04)3

Thallium cobalt sulfate hydrate,

Tl2Co(S04)2-6H20

Thallium copper sulfate hydrate,

Tl2Cu(S04)2-6H20

Thallium fluoride, TIF

Thallium gallium sulfate hydrate,

TlGa(S04)2-12H20

Thallium(I) iodate, TIIO3

Thallium(I) iodide. Til

(orthorhombic)

Thallium iron sulfate hydrate,

Tl2Fe(S04)2'6H20

Thallium lead sulfate,

Tl2Pb(S04)2

Thallium magnesium chromium oxide,

Tl2Mg2(Cr04)3

Thallium magnesium sulfate hydrate,

Tl2Mg(S04)2-6H20

Thallium manganese sulfate,

Tl2Mn2(S04)3

Thallium nickel sulfate hydrate,

Tl2Ni(S04)2'6H20

Voi. or Sec

.

Page

13m 44

2 61

7 52

4m 69

8m 80

3 44

7 53

12m 32

15m 73

9 51

7 54

9 54

1 29

8 59

1 26

7 56

10 55

9 57

3m 54

5m 75 4m 70

5m 76

5m 76

5m 77 5m 77 5m 56

16m 73

6 53

2m 37

8m 82

8 60

7 57

8m 83

2m 38

8 61

4 51

3m 54

6 55

8m 85

7m 70

7m 72

16m 74

6 57

8 62

4 53

8ffl 87

15m 74

8m 89

7m 74

7m 76

7m 78

96
Vol. or

Sec. Page

Vol. or

Sec. Page

Thallium(I) nitrate, TINO3 6 58

Thallium oxide (avicennite) , TI2O3 16m 77 Thalliujn(III) oxide, TI2O3 2 28

Thallium(I) phosphate, TI3PO4 7 58

Thalliuni(III) phosphate, TIPO4 7 59

Thallium platinum chloride.

TlzPtClg 5 70

Thallium silicon fluoride, TlgSiFg 6 56

Thallium strontium sulfate.

Tl2Sr(S04)2 15m 75

Thallium(I) sulfate, TI2SO4 6 59

Thallium(I) thiocyanate, TICNS 8 63

Thallium tin chloride, TlaSnClg ... 6 54

Thallium(I) tungsten oxide, TI2WO4 Im 48

Thallium zinc sulfate hydrate.

Tl2Zn(S04)2'6H20 7m 80

4m 70

Thorium carbide, ThC 18m 71

Thorium nitrate hydrate.

Th(N03)4-5H20 18m 72

Thorium oxide (thorianite) , Th02 .

.

1 57

3m 56

4m 71

4m 71

9 58

Thulium telluride, TmTe 4m 72

5m 57

Tin, Of-Sn (cubic) 2 12 Tin, p-Sn (tetragonal) 1 24

4m 37

15m 76

Tin chloride hydrate, SnCl2*2H20 .. 17m 84

Tin(II) fluoride, Snl'2 3m 51

Tin hydrogen phosphate , SnHP04 .... 13m 46

5 71 Tin(II) oxide (romarchite) , SnO ... 4 28

Tin(IV) oxide (cassiterite) , Sn02 1 54

Tin sulfide (berndtite) , p-SnSg . .

.

9m 57

Tin(II) telluride, SnTe 7 61

Titanium, Ti 3 4 18m 73

Titanium(III) oxide, TiOi 515 9 59

Titanium oxide (anatase) , Ti02 .... 7m 82

Titanium oxide, brookite, Ti02

3m 57

7m 83

8 64

4m 72

Titanium sulfide, TiaS 8m 149

1 28

Tungsten, W (reference standard) .. 8m 2 18m 74

Tungsten sulfide (tungstenite) , WS2 8 65

18m 75

5m 78

Uranium oxide (uraninite), UO2 .... 2 33

5m 78

4m 73

9m 58

Vanadium(V) oxide (shcherbinaite)

,

V2O5 8 66

14m 118

Vanadium sulfide, p-V3S 14m 120

4m 38

4m 73

4m 74

Ytterbium oxide, Yb203 6m 80

Ytterbium selenide, YbSe 5m 79

Ytterbium telluride, YbTe 5m 79

Ytterbium(lll) vanadium oxide, ybV04 5m 58

Yttrium, Y 18m 77 Yttrium arsenate, YASO4 2m 39

Yttrium arsenide, YAs 4m 74

Yttrium chloride oxide, YClO Im 51

Yttrium oxide, Y2O3 3 28

Yttrium phosphate (xenotime) , YPO4 8 67

Yttrium sulfide, YS 5m 80

Yttrium telluride, YTe 4m 75 Yttrium titanium oxide, Y2Ti05 11m 113

Yttrium vanadium oxide, YVO4 5m 59

Zinc, Zn 1 16

Zinc aluminum oxide (gahnite)

,

ZnAl204 2 38

Zinc ammine bromide, Zn(NH3)2Br2 11m 68

Zinc ammine chloride, Zn(NH3)2Cl2 10m 59

Zinc antimony oxide , ZnSb204 4m 39

Zinc borate, Zn4Bs0j^3 13m 48

Zinc carbonate, smithsonite, ZnCOs 8 69

Zinc chlorate hydrate,

Zn(C104)2-6H20 16m 79

Zinc chromium oxide, ZnCr204 9m 59

Zinc cobalt oxide, ZnCo204 10m 60

Zinc cyanide, Zn(CN)2 5 73

Zinc fluoride, ZnP2 6 60

Zinc fluoride hydrate, ZnFg -41120 .. 11m 69

Zinc germanium oxide, Zn2Ge04 10 56

Zinc hydroxide silicate hydrate,

hemitnorphite , Zn4 (OH) 281207 •H2O .. 2 62

Zinc iodide, Znl2 9 60

Zinc iron oxide (franklinite)

,

ZnFe204 9m 60

Zinc manganese oxide (hetaerolite)

,

ZnMn204 10m 61

Zinc molybdenum oxide, Zn2Mo308 ... 7m 173

Zinc nitrate hydrate,

a-Zn(N03)2-6H20 12in 36

Zinc oxide (zincite) , ZnO 2 25

Zinc phosphate, a-Zn3(P04)2 16m 80

Zinc phosphate, p-Zn3(P04)2 16ra 81

Zinc phosphate, •y-Zn3(P04)2 16m 83

Zinc phosphate hydrate (hopeite),

Zn3(P04)2*4H20 16m 85

Zinc selenide, ZnSe 3 23

Zinc silicate (willemite) , Zn2Si04 7 62

Zinc silicon fluoride hydrate,

ZnSiF6'6H20 8 70

Zinc sulfate (zinkosite) , ZnS04 ... 7 64

Zinc sulfate hydrate (goslarite),

ZnS04-7H20 8 71 Zinc sulfide (wurtzite) , a-ZnS

(hexagonal) 2 14

Zinc sulfide (sphaelerite) , p-ZnS

(cubic) 2 16

Zinc telluride, ZnTe 3m 58

Zinc tin oxide, Zn2Sn04 10m 62

Zinc titanium oxide, ZnTiOs 13m 49

Zinc titanium oxide, Zn2Ti04 12m 37

Zinc tungsten oxide (sanmartinite)

,

ZnW04 2m 40

Zirconium, a-Zr 2 11

Zirconium fluoride, ZrF4 18m 79

Zirconium hydride, ZrH2 5m 60

97
Vol. or

Sec. Page

Zirconium iodate, Zr (103)4 l"" 51

Zirconium nitride, ZrN 5m 80

Zirconium oxide, ZrO 5m 81

Zirconium oxide chloride hydrate,

ZrOClz-SHzO 18m 81

Zirconium phosphide, ZrP 4m 75

Zirconium silicate, zircon, ZrSi04 4 68

Zirconium silicide, ZrSi2 17m 86

Zirconium sulfate hydrate

(zircosulfate) , Zr (804)2 "AHaO 7 66

98
CUMULATIVE ORGANIC FORMULA INDEX

Vol. or

Sec. Page

CHI 3 Iodoform 18m 34

CH4N2O Urea 7 ol

CH4N2S Thiourea 17ffl 0 0 8J

CH5NO2 Ammonium formate 11m 9 CHsNa'HCl Guanidinium chloride 17m 35

CH5N3S Thiosemicarbazide 17m 81

C2Ag204 Silver oxalate 9m 47

C2Fe04 '21120 Iron oxalate hydrate (humboldtine) 10m 24

C2HNa04'H20 Sodium hydrogen oxalate hydrate 17m 72

C2H2Ca04 Calcium formate 8 16

^2^204*21120 Oxalic acid hydrate I6m 55

C2H204Pb Lead formate 8 30

C2H204Sr Strontium formate 0B 55

C2H204Sr •2H2O Strontium formate hydrate (ortho rhombic) 8 56

C2H3KO4 Potassium formate- formic acid complex 9m 93

C2H3Na02 '31120 Sodium acetate hydrate 15m 66

C2H4N2O2 Glyoxime 8m 102

C2H5NO2 a-Glycine 17m 34

C2H7NO2 Ammonium acetate 8m 95

C2H8N204'H20 Ammonium oxalate hydrate (oxammite) 7 5 C2K204'H20 Potassium oxalate hydrate 9m 39

C2Li204 Lithium oxalate 10m 34

C2Na204 Sodium oxalate £—om 70

C204RD2 •H202 Rubxdium oxalate perhydrate 9m 102

C3H7N02 L-Alanine 8m 93

l<3n7NU2t> L-Cysteme 11m 80

C3H10CIN Trimethylammonium chloride 9m 113

r» u VA - on A L4n3KUg • Zn2CJ Potassium hydrogen oxalate hydrate 17m 60

II PrtA » on n L.4n4L.aU5 'Zn2U Calcium malate hydrate lum 7o

C4H4KNa06 '»H20 Potassium sodium tartrate hydrate 15m 55

C4H4N08Y'H20 Ammonium yttrium oxalate hydrate 8m 97

TT XT e\ f\TT ^ C4H4Na206 • 2H2O Sodium D-tartrate hydrate llffl 110

t.4n6l'0l)4 ''^H2U Cobalt acetate hydrate 12m 19

C4H6Hg204 Mercury acetate 17m 51

C4HeNi04 ' 41120 Nickel acetate hydrate 13m 31

C4He04Zn ' 2H2O Zinc acetate hydrate 18m 78

P IT i)-lartaric acid 7m loo

C4H606U '2H20 Uranyl acetate hydrate 18m 76

r" 11 \T A 1.4117111 3U Creatinine 15m 31

C4H8N808 0(-HMX 11m 100

C4H8N808 p-HMX 11m 102

C4H8N808 Octahydro-1 ,3,5, 7-tetranitro1,3,5,7-tetrazocine, alpha- 11m 100

II XT r\ Octahydro-1 , 3 ,5 , T-rtetranitro1 ,3 ,5 , 7-tetrazocine , beta- 11m 102

P TT TJ bis-(o-Dodecacarborane) £om 7 C5H4N4O3 TT • 'J 1 -1/1 . . \ Uric acid, phase 1 (calc. pattern) 8m 154 u vf r\ C5H4N4O3 Uric acid, phase 1 lom 78

C5H7C11NO4 '2H2O Copper glutamate hydrate 7m 110

C 5II 7NO4 Zn ' 2H2O Zinc glutamate hydrate 7m 170

L5ll8»na(J4 '1120 Sodium glutamate hydrate 17m 70

C5H9NO4 p-L-Glutamic acid 17m 32

L5M12U4 Pentaerythritol 17m 55

C6H3N3O7 Picric acid 16m 56

C6H5NO2 Nicotinic acid I61D 54

C6H6O2 y-Hydroquinone 8m 107

C6H8Cl2N4Zn Zinc diimidazole chloride 7m 123

Phenylhydrazine hydrochloride 1 /m 56

CeHsOe L-Ascorbic acid 8m 99

C6H12N4 Hexamethylenetetramine 17m 37

^6^12^6 Dextrose 11m 28

C6H12O6 a-D-Glucose 11m 28

C6Hi5Ho0i2S3'9H20 Holmium ethylsulfate hydrate Im 18

99
Vol. or

Sec. Page

C6Hi5Nd0i2S3'9H20 Neodymium ethylsulfate hydrate 9 41

CyHsBrOz o-Bromobenzoic acid 16m 22

C7H5CIO2 m-Chlorobenzoic acid 16m 30

C7H5FO2 p-Fluorobenzoic acid r6m 36

C7H9NO2S Methyl sulfonanilide 9m 78

^7^1204 Pimelic acid 7m 153

C8H4Hg204 Mercury o-phthalate 10m 113

C8H5K04 Potassium hydrogen o-phthalate 4m 30

C8H504T1 Thallium hydrogen phthalate 16m 75

C8H7N307 2,4,6-Trinitrophenetole 8m 152

C8H803 p-Anisic acid 16m 11

C8H9NO Acetanilide (calc. pattern) 14ffl 38

C8H9NO Acetanilide 16m 7 CgHiiNaNaOs Sodium barbital 16m 157

C8H12N2O3 Barbital, form I 15m 126

C8H12N2O3 Barbital, form II 15m 128

C8H12N2O3 Barbital, form IV 15m 130

C9Hi4N203 Metharbital 15m 177

CloHl2N203 Allobarbital 14m 41

CioHieClNO (-)-Ephedrine hydrochloride 16m 124

C11H16N2O3 Vinbarbital, form I 16m 162

C11H18N2O3 Amobarbital, form I 15m 114

C11H18N2O3 Amobarbital, form II 15m 117

Azobenzene 7m 86

Ci2Hi2N2-2HCl Benzidine hydrochloride 18m 14

C12H12N2O3 Phenobarbital , form III 16m 144

CiaHigClzCuNg Copper tetrapyrazole chloride 8m 31

Ci2Hi6Cl2N8Ni Nickel tetrapyrazole chloride 8m 44

C12H16CUN10O6 Copper tetraimidazole nitrate 13m 24

C12H16N2 (N ,N) -Dimethyltryptamine 14m 109

C12H16N2O Bufotenine 15m 133

C12H16N2O Psilocin 16m 152

C12H22O11 Sucrose 11m 66

C12H26N2O4 Hexamethylenediammonium adipate 7m 121

C13H21CIN2O2 Procaine hydrochloride 16m 149

C13H21N2O4P Psilocybin methanolate 16m 154

C14H11FO 4-Acetyl-2 ' -fluorodiphenyl 8m 91

Ci4H2oClN3S Methapyrilene hydrochloride 14m 112

C15H12N20 p-Carbamazepine 18m 24

C15H1202 Dibenzoylmethane 7m 115

C16H13C1N20 Diazepam 14m 106

C16H13N N-Phenyl-2-naphthylamine 6m 29

Ci7Hi9ClN2S Chlorpromazine 14m 60

Ci7H2oClN03-3H20 Morphine hydrochloride hydrate 16m 133

C17H22C1N04 L-Cocaine hydrochloride 16m 114

C17H26C1N Phencyclidine hydrochloride 16m 141

Ci8H22BrN03-2H20 Codeine hydrobromide hydrate 16m 117

Ci8H24CdNi406 Cadmium hexaimidazole nitrate 8m 23

Cl8H24Nl4Ni06 Nickel hexaimidazole nitrate 7m 27

C18H28N204S (+) -Amphetamine sulfate 15m 119

Ci9H22ClN04-2H20 Naloxone hydrochloride hydrate 16m 136

C19H22N20 Cinchonine 17m 26

C19H25C1N2 Imipramine hydrochloride 16m 129

C20H26C1N03 Benactyzine hydrochloride 16m 92

C20H34 a-Dihydrophyllocladene , hartite

(or bombiccite) 16m 122

C21H23C1FN02 Haloperidol 16m 127

C21H3002 Cannabidiol 16m 111

C22H25C1N20S-2H20 Clopenthixol hydrate 17m 28

C22H3004 A^-Tetrahydrocannabinolic acid

B 16m 160

C24H32N202Pd Palladium bis- (N-isopropyl-3-

ethylsalicylaldiminate) 7m 144

C25H15N6 N-Methylphenazinium-7 ,7,8,8-

tetracyanoquinodimethanide 7m 146

C33H40N209 Reserpine 8m 123

100
CUMULATIVE ORGANIC NAME INDEX

Vol. or

Sec. Page

Acetanilide CgHgNO (calc. pattern) 14m 38

Acetanilide CgHgNO 16m 7 4-AcetyI-2 ' -fluorodiphenyl C14H11FO 8m 91

Alanine, L- CH3CHNH2CO2H 8m 93

Allobarbital '-•10H12N2O3 14m 41

Amobarbital , form I CHH18N2O3 15m 114

Ainobarbital , form II C11H18N2O3 15m 117

Ammonium acetate NH4-CH3C02 8m 95

Ammonium formate NH4HCO2 11m 9 Ammonium oxalate hydrate (oxammite) (NH4)2C204-H20 7 5 Ammonium yttrium oxalate hydrate NH4Y(C204)2-H20 8m 97

Amphetamine sulfate, (+)- C18H28N204S 15m 119

p-Anisic acid CgHgOs 16m 11 Ascorbic acid, L- 8m 99

Azobenzene CeHsNNCeHs 7m 86

Barbital, form I C8H12N2O3 15m 126

Barbital, form II C8H12N2O3 15m 128

Barbital, form IV C8H12N2O3 15m 130

Benactyzine hydrochloride C20H26CINO3 16m 92

Benzidine hydrochloride Ci2Hi2N2-2HCl 18m 14 o-Bromobenzoic acid C7H5Br02 16m 22

Bufotenine Ci2Hi6N20 15m 133

Cadmium hexaimidazole nitrate Cd(C3H4N2)6(N03)2 8m 23

Calcium formate Ca(HC02)2 8 16 Calcium malate hydrate Ca(02C)2(CH2CH0H) •2H2O 10m 76

Cannabidiol C21H30O2 16m 111 Carbamazepine , p- CisHizNzO 18m 24

m-Chlorobenzoic acid C7H5CIO2 16m 30

Chlorpromazine C17H19CIN2S 14m 60

Cinchonine C19H22N2O 17m 26

Clopenthixol hydrate C22H25C1N20S-2H20 17m 28

Cobalt acetate hydrate Co(C2H302)2-^H20 12m 19 Cocaine hydrochloride, L- C17H22C1N04 16m 114

Codeine hydrobromide hydrate Ci8H22BrN03-2H20 16m 117

Copper glutamate hydrate Cu(02C)2(H2NCHCH2CH2)-2H20 7m 110

Copper tetraimidazole nitrate Cu(C3H4N2)4(N03)2 13m 24

Copper tetrapyrazole chloride Cu(C3H4N2)4Cl2 8m 31

Creatinine C4H7N30 15m 31 Cysteine, L- HSCH2-CH(NH2) -COOH 11m 86

Dextrose ^6^1206 11m 28

Diazepam C16H13CIN2O 14m 106

Dibenzoylmethane (C6H5C0)2CH2 7m 115

Dihydrophyllocladene , a-, hartite (or

bombiccite) C20H34 16m 122

(N,N)-Dimethyltryptamine C12H16N2 14m 109

bis-(o-Dodecacarborane) C4B20H22 6m 7 Ephedrine hydrochloride, (-)- CioHieClNO 16m 124

p-Fluorobenzoic acid C7H5F02 16m 36

Glucose, a-D- C6H1206 11m 28

Glutamic acid, p-L- C5H9N04 17m 32

Glycine, a- C2HSN02 17m 34

Glyoxime H2C2(N0H)2 8m 102

Guanidinium chloride CHsNg-HCl 17m 35

Haloperidol C21H23CIFNO2 16m 127

Hexamethylenediaramonium adipate (CH2)4(C02H3N)2(CH2)6 7m 121

Hexamethylenetetramine C6H12N4 17m 37

HMX, a- C4H8N808 11m 100

HMX, p- C4H8N808 11m 102

Holmium ethylsulfate hydrate Ho[(C2H5)S04]3-9H20 Im 18 Hydroquinone , y- HOC6H40H 8m 107

Imipramine hydrochloride C19H25C1N2 16m 129

Iodoform CHI 3 18m 34

101
Vol. or

Sec. Page

Iron oxalate hydrate (humboldtine) FeC204-2H20 10m 24

Lead formate Pb(HC02)2 8 30

Lithium oxalate Li2C204 10m 34

Mercury acetate C4H6Hg204 17m 51

Mercury o-phthalate C6H4(C02Hg)2 10m 113

Methapyrilene hydrochloride C14H20C1N3S 14m 112

Metharbital C9H14N203 15m 177

Methyl sulfonanilide C6H5NHS02CH3 9m 78

N-Methylphenazinium-7 , 7 ,8 , 8-tetracyanoquinodimethanide C25H15N6 7m 146

Morphine hydrochloride hydrate Ci7H2oClN03-3H20 16m 133

Naloxone hydrochloride hydrate Ci9H22ClN04-2H20 16m 136

2-Naphthylamine , N-phenyl- CioHyNHCgHs 6m 29

Neodymium ethylsulfate hydrate Nd[(C2H5)S04]3-9H20 9 41

Nickel acetate hydrate Ni(C2H302)2-AH20 13m 31

Nickel hexaimidazole nitrate Ni(C3H4N2)6(N03)2 7m 27 Nickel tetrapyrazole chloride Ni(C3H4N2)4Cl2 8m 44

Nicotinic acid C6H5N02 16m 54

Octahydro-1 , 3,5 , 7-tetranitrol ,3 ,5 , 7-tetrazocine (a-HMX) C4H8N808 11m 100

Octahydro-1 ,3,5 , 7-tetranitrol , 3 ,5 , 7-tetrazocine (P-HMX) C4H8N808 11m 102

Oxalic acid hydrate C2H204-2H20 16m 55

Palladium bis- (N-isopropyl-3-

ethylsalicylaldiminate) Pd(Ci2Hi6N0)2 7m 144

Pentaerythritol C5H1204 17m 55

Phencyclidine hydrochloride Ci7H26ClN 16m 141

Phenobarbital , form III C12H12N203 16m 144

Phenylhydrazine hydrochloride C6H8N2-HC1 17m 56

Picric acid C6H3N307 16m 56

Pimelic acid (CH2)5(C02H)2 7m 153

Potassium formate-formic acid complex K02CH-H02CH 9m 93

Potassium hydrogen o-phthalate C6H4(C00H)(C00K) 4m 30

Potassium hydrogen oxalate hydrate C4H3K08-2H20 17m 60

Potassium oxalate hydrate K2C204-H20 9m 39

Potassium oxalate perhydrate K2C2O4 -11202 9m 96

Potassium sodium tartrate hydrate C4H4KNa06-4H20 15m 55

Procaine hydrochloride C13H21CIN2O2 16m 149

Psilocin C12H16N2O 16m 152

Psilocybin methanolate C13H21N2O4P 16m 154

Reserpine C33H40N2O9 8m 123

Rubidium oxalate perhydrate Rb2C204 -11202 9m 102

Silver oxalate Ag2C204 9m 47

Sodium acetate hydrate C2H3Na02-3H20 15m 66

Sodium barbital C8HiiN2Na03 16m 157

Sodium glutamate hydrate C5H8NNa04-H20 17m 70

Sodium hydrogen oxalate hydrate C2HNa04-H20 17m 72

Sodium oxalate Na2C204 6m 70

Sodium D-tartrate hydrate (CH0H-C02Na)2-2H20 11m 110

Strontium formate Sr(CH02)2 8 55

Strontium formate hydrate Sr(CH02)2*2H20 (orthorhombic) 8 56

Sucrose C12H22O1

1

11m 66

Tartaric acid, D- (CH0HC02H)2 7m 168

A^-Tetrahydrocannabinolic acid B C22H30O4 16m 160

Thallium hydrogen phthalate C8H5O4TI 16m 75 Thiosemicarbazide CH5N3S 17m 81

Thiourea CH4N2S 17m 83

Trimethylammonium chloride (CH3)3NHC1 9m 113

2 ,4 ,6-Trinitrophenetole C2H50C6H2(N02)3 8m 152

Uranyl acetate hydrate C4H606U-2H20 18m 76

Urea C0(NH2)2 7 61

Uric acid, phase 1, (calc. pattern) C5H4N4O3 8m 154

Uric acid (phase 1) C5H4N4O3 16m 78

Vinbarbital, form I C11H16N2O3 16m 162

Zinc acetate hydrate C4H6O4-2H2O 18m 78

Zinc diimidazole chloride Zn(C3H4N2)2Cl2 7m 123

Zinc glutamate hydrate, Zn(02CCHNH2CH2CH2C02) -2H2O 7m 170

102
CUMULATIVE MINERAL INDEX

Vol. or

Sec. Page

Acanthite, Ag2S 10 51

Aeschynite CeNbTiCe 3m 24

Alabandite, MnS 4 11 Anatase, TiOg 7in 82

Andradite, CasFezSisOia 9 22

Anglesite, PbS04 3 67

Anhydrite, CaS04 4 65

Antarcticite, CaCl2*6H20 12m 16

Antimony, Sb 3 14

Aphthitalite, K3Na(S04)2 6m 52

Aragonite, CaCOs 3 53

Aragonite, CaCOs (calculated pattern) 14m 44

Arcanite, K2SO4 3 62

Arsenic, As 3 6 Arsenolite, AS2O3 1 51

Aurostibite, AuSb2 7 18

Avicennite, TI2O3 I6m 77 *Azurite, Cu3(0H)2(C03)2 10 30

*Bahianite, AI5 , 66^60 . 09Sb2 . ssOie • I6m 87

Baryte, BaS04 10m 12 Bassanite, CaS04-0.5H20 18m 22

Berlinite, AIPO4 10 3 Berndtite, SnS2 9m 57

-"Beryl, Be3Al2Si60i8 9 13

Bischofite, MgCl2-6H20 11m 37

Bismite, a-Bi203 3m 17 Bismoclite, BiOCl 4 54

Bismuth, Bi 3 20

Bismuthinite , Bi2S3 5m 13

Bixbyite, a-Mn203 11m 95

*Bloedite, Na2Mg(S04)2 •4H2O 6m 63

Boehmite, Al203'H20 3 38

*Bombiccite, C20H34 16m 122

Borax, Na2B405(0H)4'8H20 I6m 66

Bromargyrite , AgBr 4 46

Bromellite, BeO 1 36

*Brookite, Ti02 3m 57

Brownmillerite , Ca4Al2Fe20io I6m 28

Brucite, Mg(0H)2 6 30

Bunsenite, NiO 1 47

Burkeite, Na6C03(S04)2 11m 52

*Butlerite, Fe(0H)S04-2H20 10m 95

Cadmoselite, CdSe 7 12 Calcite, CaCOs 2 51

Calomel, Hg2Cl2 13m 30

Carnallite, KMgCl3-6H20 8m 50

Carobbiite, KF 1 64

Cassiterite, Sn02 1 54

Celestite, SrS04 2 61

Cerianite, Ce02 1 56

Cerussite, PbC03 2 56

Cervantite, Sb204 10 8 Chalcocyanite, CUSO4 3m 29

Chernovite, YASO4 2m 39

Chiolite, Na5Al3Fi4 I6m 63

Chloraluminite, A1C13-6H20 7 3 Chlorargyrite , AgCl 4 44

Chloromagnesite , MgCl2 11m 94

Chromatite, CaCr04 7 13

Chrysoberyl, BeAl204 9 10

Cinnabar, HgS 4 17 Claudetite, AS2O3 3m 9 Clausthalite, PbSe 5 38

Natural mineral

Vol. or

Sec. Page

Clinobisvanite, BiV04 3m 14 Copper, Cu 1 15 Cordierite, Mg2Al4Si50i8 Im 28

Corundum, AI2O3 9 3 Cotunnite, PbCl2 12m 23

Covellite, CuS 4 13 Cristobalite (a or low) Si02

(tetragonal) 10 48

Cristobalite (a or low) Si02

(tetragonal, calculated pattern) 15m 180

Cristobalite (P or high) Si02 (cubic) 1 42

Cryolithionite, Li3Na3Al2ri2 9m 23

Cryptohalite, (NH4)2SiF6 5 5 Cuprite, CU2O 2 23

"-Derbylite, SbFe4Ti30i3(0H) 16m 89

*Diamond, C 2 5 *Diaspore, A1203-H20 ^ 3 41

Diopside, CaMg(Si03)2 ' 5m 17 *Dravite, NaMg3Al6B3Si6027 (0H)4 ... 3m 47 Eitelite, Na2Mg(C03)2 Hm 56

Elpasolite, K2NaAlF6 9m 43

"Enstatite, MgSi03 6 32

Epsomite, MgS04-7H20 7 30

Eriochalcite, CuCl2'2H20 18m 33

Erythrosiderite, K2FeCl5'H20 I4m 27

Eskolaite, Cr203 5 22

Ettringite, Ca6Al2S30i8-31H20 8 3 Fairchildite, K2Ca(C03)2 8m 48

Fluorapatite, Ca5F(P04)3 3m 22

Fluorite, CaF2 1 69

Forsterite, Mg2Si04 1 83

Franklinite, ZnFe204 9m 60

Fresnoite, Ba2TiSi208 9m 14

Gahnite, ZnAl204 2 38

Galaxite, MnAl204 9 35

Galena, PbS 2 18

Gaspeite, NiC03 Im 36

Geikielite, MgTi03 5 43

Gersdorffite, NiAsS Im 35

Glauberite, Na2Ca(S04)2 6m 59

Gold, Au 1 33

Goslarite, ZnS04-7H20 8 71 Greenockite, CdS 4 15 '•Groutite, MnO(OH)

..

11m 97

Gypsum, CaS04-2H20 17m 16

Halite, NaCl 2 41

"Hartite, C20H34 I6m 122

Hausmannite, Mn304 10m 38

Hematite, C(-re203 18m 37

*Hemimorphite, Zn4 (OH) 2Si207 •H2O .. 2 62

Hetaerolite, ZnMn204 10m 61

*Hexahydroborite, Ca[B(0H)4]2-2H20 I6m 104

Hieratite, K2SiF6 5 50

Hopeite, Zn3(P04)2 •4H2O I6m 85

Huebnerite, MnW04 2m 24

Humboldtine, FeC204'2H20 10m 24

Humite, Mg7F2Si30i2 Im 30

Hydromolysite, FeCl3-6H20 17m 40

Hydrophilite, CaCl2 Hm 18

Ilmenite, FeTi03 15m 34

Indialite, Mg2Al4Si50i8 Im 29

lodargyrite, Agl 8 51

Iron, a-Fe 4 3 Jacobsite, MnFe204 9 36

*Julgoldite, Ca2Fe3Si30io(OH,0)2(OH)2 10m 72

103
Vol. or

Sec. Page

Vol. or

Sec. Page

Kalistrontite, K2Sr(S04)2

Kieserite, MgS04-H20

Kremersite, (NH4,K)2FeCl5'H20

Langbeinite, K2Mg2(S04)3

Lautarite, Ca(I03)2

Lead, Pb

*Leucophanite , NaCaBeFSiaOg

Libethenite, Cu2(0H)P04

*Liddicoatite , Ca (Li , Al)3Al6B3Si6027

(0,0H)3(0H,F)

Lime , CaO

Lime, CaO (calculated pattern) .... "-Linarite, CuPb(OH) 2 (SO4)

Litharge, PbO (red)

Lithiophosphate , Li3P04

Loellingite, FeAs2

Loeweite, Nai2M87(S04)i3-15H20

Lopezite, K2Cr207

*Loveringite, Ca ^ 72RE _33(Y,Th,U,

Pb) _05Ti12.48Fe3.38Cr2.24Mg.92

Zr.58Al.39V.21Mn.04O.38

Lueshite, NaNbOs

Macedonite, PbTiOg

Magnesiochromite, MgCr204

Magnesite, MgC03

Magnetite, Fe304

Malachite, Cu2(0H)2C03

Malladrite, NagSiFg

Manganolangbeinite, K2Mn2(S04)3 ... Manganosite, MnO

Marshite, Cul

Mascagnite, (NH4)2S04

Massicot, PbO (yellow)

Matlockite, PbFCl

Matteuccite, NaHS04'H20

Mayenite, Cai2Ali4033

Melanterite, FeS04 -71120 *Meliphanite,

Na.63Ca1.37BeAl.13Si1.87O6.25F, 75

Metaborite, HBOg

Metacinnabar , HgS

Miargyrite, AgSbS2

*Millerite, NiS

Minium, Pb304

Mitscherlichite, K2CuCl4'2H20

Molybdenite, M0S2

Molybdite, M0O3

Monteponite , CdO

Montroydite, HgO

Mullite, AlgSigOia

Nantokite, CuCl

*Newberyite, MgHP04 -31120 Niter, KNO3

Nitrammite, NH4NO3

Nitrobarite, Ba(N03)2

Norbergite, Mg3F2Si04

Oldhamite, CaS

Otavite, CdC03

Oxammite, (NH4)2C204 -H2O

Palladium, Pd

Palladseite, Pdi7Sei5

Palmierite, K2Pb(S04)2

Paraguanajuatite , 812863

*Paratellurite, Te02

Paratellurite, Te02

Periclase, MgO

Perovskite, CaTiOs

14m 31

16m 46

14m 8 6m 40

14m 12

1 34

8m 138

17m 30

16m 42

1 43

14m 49

16m 34

2 30

4m 21

10 34

14m 35

15m 47

16in 106

18m 64

5 39

9 34

7 28

5m 31

10 31

16m 68

6m 43

5 45

4 38

9 8 2 32

13m 25

9m 52

9 20

8m 38

8m 135

4m 27

4 21 5m 49

Im 37

8 32

9m 34

5 47

3 30

2 27

9 39

3m 3 4 35

7m 139

3 58

7 4

11m 14

10 39

7 15

7 11

7 5

1 21

16m 139

14m 30

18m 16

10 55

7 56

1 37

9m 17

*Phenakite, Be2Si04

Picromerite, K2Mg(S04)2 -61120 *Pirssonite, Na2Ca (C03)2 -21120 Platinum, Pt Portlandite, Ca(0H)2

Potash alum, KAl (804)2 •I2H2O

Powellite, CaMo04

Pyrargyrite, Ag3Sb83

Pyrite, Fe82

*Pyroaurite, Mg6Fe2C03(0H) 16 •4H2O

Pyrolusite, p-Mn02

Pyrope, Mg3Al2(8i04)3

Pyrophanite, MnTi03

*Quartz, 8i02 (a or low)

Quartz, low, a-8i02

Rammelsbergite , NiAs2

Retgersite, Ni804 -61120 Rhodochrosite, MnC03

Rokuhnite, FeClg '21120 Romarchite, SnO

*Roscherite, (monoclinic)

,

Be2Ca (Fe . sMg . 7 ) 2AI , 67 (PO4) 3 •2H2O

*Roscherite, (triclinic), Be4Ca2

(Mn3 . 9iMg . 04Ca . os) (Al . isFe . 42Mn . 12

)

(P04)6(0H)4-6H20

Rutile, TiOg

Safflorite, CoFeAs4

Salammoniac, NH4CI

Sanbornite, p-BaSi205

Sanmartinite , ZnW04

Scacchite, MnCl2

*Scheelite, CaW04

Schultenite, PbHAs04

Selenium, Se

Selenolite, Se02

Sellaite, MgF2

Senarmontite , Sb203

Shcherbinaite, V2O5

*Siderite, FeCOg

Silver, Ag

Silver, Ag (reference standard) ... ^-SjSgrenite, MgeFegCOa (OH) ig -^HgO

Skutterudite, C0AS3

*Smithsonite, ZnC03

Soda alum, NaAl (804)2 • I2H2O

*Sodalite, Na88i6Al6024Cl2

Soda niter, NaN03

Sphaerocobaltite, C0CO3

Sphalerite, ZnS

Spinel, MgAl204

Stibnite, Sb2S3 .•

.

Stilleite, ZnSe

Stolzite, PbW04

Strontianite, SrC03

Struvite, MgNH4P04 -6H2O

Sulfur, S (ortho rhombic)

Sylvite, KCl

Syngenite, K2Ca (804)2 -HaO

Szmikite, Mn804-H20

Tellurantimony , 8b2Te3

'-Tellurite, Te02

Tellurium, Te Tellurobismuthite, 812X63

Tenorite, CuO

Teschemacherite, NH4HCO3

Thenardite, Na2S04

Thermonatrite , Na2C03'H20

g 11

'ilk 106

31

•JO

5 22

^UJ CL

1

c:D 9Q

luUl

•^q oy

Aid 15m 42

ri 94

18m 61

10 42

7 36

7 39

11m 32

4 28

16m 96yv

16m 100

7m 83

10 28

59

13m 10

2m 40

8m 43

5 23

14m 18

5 54

7m 60

4 ^3

3 31

g 66

15m 32

23

8m 2 10m 103

1

0

21

c0 ^q\jy

7m/ 111

10 24

2 16

Qm^111 9S

93

0111 ^4

-JJ

Jul 41

q '^4

1X

1 Am 9"; 16m 49

3m 3

q

1 3m 16

1 49

9 5 2 59

8 54

104
Vol. or

Sec. Page

*Thomsenolite, NaCaAlFg-HaO 8m 132

Thorianite, ThOg 1 57

Thortveitite, ScgSigOy 7in 58

Tiemannite, HgSe 7 35

Tin, a-Sn (cubic) 2 12 Tin, p-Sn (tetragonal) 1 24

*Topaz, Al2Si04(F,0H)2 Im 4 Trevorite, Nire204 10 44

Trippkeite, CUAS2O4 I6m 120

*Trona, Na3H(C03)2 -aHaO 15m 71

Tschermigite, NH4A1(S04)2 -laHgO ... 6 3 Tungstenite, WSg 8 65

Unnamed mineral

,

Ki.i6Ba.72Fe_36 Tis^ggOig 16m 147

Uraninite, UO2 2 33

Uvarovite, Ca3Cr2 (8104)3 10 17 *Valentinite, Sb203 10 6

Vanthoffite, NagMg (804)4 15m 72

Villiaumite, NaF 1 63

Vivianite, Fes (PO4) 2 •8H2O 16TM 38

Wakefieldite, YVO4 5m 59

Willemite, Zn2Si04 7 62

Witherite, BaCO^ 2 54

Wulfenite, PbMo04 7 23

Wurtzite, Zn8 2 14

*Xanthoconite, AgsAsSs 8m 126

Xenotime, YPO4 8 67

Yavapaiite, KFe (804)2 16m 59

Zinc, Zn 1 16

Zincite, ZnO 2 25

Zinkosite, ZnS04 7 64

"'Zircon, ZrSi04 4 68

Zircosulfate, Zr(S04)2 -41120 7 66

*U.S. GOVERNMENT PRINTING OFFICE : 1981 0-340-997/ 1826

105
NBS-n4A IREV. 2.8CI

U.S. DEPT. OF COMM.

BIBLIOGRAPHIC DATA

SHEET (See instructions)

1. PUBLICATION OR

REPORT NO.

Monogr. 25 —Sect.Mio

2. Performing Organ. Report No. 3. Publ ication Date

October 1981

4. TITLE AND SUBTITLE

Standard X-ray Diffraction Powder Patterns

Section 18 - Data for 58 Substances

5. AUTHOR(S) Marlene C. Morris, Howard F. McMurdie, Eloise H. Evans, Boris Paretzkin,

Harry S. Parker, Nicolas C. Panagiotopoulos , and Camden R. Hubbard

6. PERFORMING-ORGANIZATION (If joint or other thon NBS, see in struct/on sj

NATIONAL BUREAU OF STANDARDS

DEPARTMENT OF COMMERCE

WASHINGTON, D.C. 20234

JCPDS - International Centre

for Diffraction Data

Swarthmore, PA 19081

7. Contract/Grant No.

8. Type of Report & Period Covered

Final

9. SPONSORING ORGANIZATION NAME AND COMPLETE ADDRESS (Street. City. State, ZIP)

10. SUPPLEMENTARY NOTES

Library of Congress Catalog Card Number: 53-61386

I I Document describes a computer program; SF-185, FlPS Software Summary, is attached.

11. ABSTRACT ( A 200-word or less factual summary of most si gnifi cant information. If document includes a si gnificant

bibliography or literature survey, mention It here)

Standard x-ray powder diffraction patterns are presented for 58 substances.

These experimental patterns, useful for identification, were obtained by

dif fractometer methods. The lattice constants were refined by least-squares

methods, and reflections were assigned Miller indices consistent with space

group extinctions. Relative intensities, calculated densities , literature

references, and other relevant data are included.

12. KEY WORDS (Six to twelve entries; alphabetical order; capitalize only proper names; and separate key words by semicolons)

Crystal structure; densities; lattice constants; powder patterns; reference

intensities; standard; x-ray diffraction.

13. AVAILABILITY

[22 Unlimited

I I For Official Distribution. Do Not Release to NTIS

1^8 Order From Superintendent of Documents, U.S. Government Printing Office, Washington, D C

20402.

Order From National Technical Information Service (NTIS), Springfield, VA. 22161

14. NO. OF

PRINTED PAGES

110

15. Price

USCOMM-DC 6043-P80


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PERIODICALS

JOURNAL OF RESEARCH—The Journal of Research of the National Bureau of Standards reports NBS research and development in those disciplines of the physical and engineering sciences in which the Bureau is active. These include physics, chemistry,

engineering, mathematics, and computer sciences. Papers cover a broad range of subjects, with major emphasis on measurement

methodology and the basic technology underlying standardization. Also included from time to time are survey articles on topics

closely related to the Bureau's technical and scientific programs. As a special service to subscribers each issue contains complete

citations to all recent Bureau publications in both NBS and non- NBS media. Issued six times a year. Annual subscription: domestic

$13; foreign $16.25. Single copy, $3 domestic; $3.75 foreign.

NOTE: The Journal was formerly published in two sections: Section A "Physics and Chemistry" and Section B "Mathematical

Sciences." DIMENSIONS/NBS—This monthly magazine is published to in- form scientists, engineers, business and industry leaders, teachers,

students, and consumers of the latest advances in science and

technology, with primary emphasis on work at NBS. The magazine

highlights and reviews such issues as energy research, fire protection, building technology, metric conversion, pollution abatement,

health and safety, and consumer product performance. In addition, it reports the results of Bureau programs in measurement

standards and techniques, properties of matter and materials,

engineering standards and services, instrumentation, and

automatic data processing. Annual subscription: domestic $11;

foreign $13.75.

NONPERIODICALS

Monographs—Major contributions to the technical literature on

various subjects related to the Bureau's scientific and technical activities. Handbooks—Recommended codes of engineering and industrial practice (including safety codes) developed in cooperation with in- terested industries, professional organizations, and regulatory

bodies.

Special Publications—Include proceedings of conferences sponsored by NBS, NBS annual reports, and other special publications

appropriate to this grouping such as wall charts, pocket cards, and

bibliographies.

Applied Mathematics Series—Mathematical tables, manuals, and

studies of special interest to physicists, engineers, chemists,

biologists, mathematicians, computer programmers, and others engaged in scientific and technical work.

National Standard Reference Data Series—Provides quantitative data on the physical and chemical properties of materials, compiled from the world's literature and critically evaluated.

Developed under a worldwide program coordinated by NBS under

the authority of the National Standard Data Act (Public Law

90-396).

NOTE: The principal publication outlet for the foregoing data is the Journal of Physical and Chemical Reference Data (JPCRD)

published quarterly for NBS by the American Chemical Society

(ACS) and the American Institute of Physics (AIP). Subscriptions,

reprints, and supplements available from ACS, 1 155 Sixteenth St., NW, Washington, DC 20056.

Building Science Series—Disseminates technical information

developed at the Bureau on building materials, components,

systems, and whole structures. The series presents research results,

test methods, and performance criteria related to the structural and

environmental functions and the durability and safety characteristics of building elements and systems.

Technical Notes—Studies or reports which are complete in themselves but restrictive in their treatment of a subject. Analogous to monographs but not so comprehensive in scope or definitive in treatment of the subject area. Often serve as a vehicle for final reports of work performed at NBS under the sponsorship of other government agencies.

Voluntary Product Standards—Developed under procedures

published by the Department of Commerce in Part 10, Title 15, of

the Code of Federal Regulations. The standards establish nationally recognized requirements for products, and provide all concerned interests with a basis for common understanding of the

characteristics of the products. NBS administers this program as a supplement to the activities of the private sector standardizing

organizations.

Consumer Information Series—Practical information, based on NBS research and experience, covering areas of interest to the con- sumer. Easily understandable language and illustrations provide

useful background knowledge for shopping in today's technological marketplace.

Order the above NBS publications from: Superintendent of Documents, Government Printing Office, Washington, DC 20402. Order the following NBS publications—FIPS and NBSIR's—from

the National Technical Information Services, Springfield, VA 22161.

Federal Information Processing Standards Publications (FIPS

PUB)—Publications in this series collectively constitute the Federal Information Processing Standards Register. The Register

serves as the official source of information in the Federal Government regarding standards issued by NBS pursuant to the Fedpt-al

Property and Administrative Services Act of 1949 as amendtd.

Public Law 89-306 (79 Stat. 1127), and as implemented by Executive Order 1 1717 (38 FR 12315, dated May II, 1973) and Pane

of Title 15 CFR (Code of Federal Regulations).

NBS Interagency Reports (NBSIR)—A special series of interim or

final reports on work performed by NBS for outside sponsors

(both government and non-government). In general, initial dis- tribution is handled by the sponsor; public distribution is by the National Technical Information Services, Springfield, VA 22161,

in paper copy or microfiche form.
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